 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104148/Gau-2921.inp" -scrdir="/scratch/9104148/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2925.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer01_wB97XD_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer01_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Pol
 ar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:49:48 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H(Iso=2)              1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H                     1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1           2           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   2.0141018   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           1           2           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.8574380   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           1           2           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           2           1           1           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:49:48 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.0363665           3.8138837           3.6160712
 Leave Link  202 at Thu Jan 27 11:49:48 2022, MaxMem=  5368709120 cpu:               0.0 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0103222736 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5839790889 Hartrees.
 Leave Link  301 at Thu Jan 27 11:49:49 2022, MaxMem=  5368709120 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:49:49 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:49:49 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer01_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:49:49 2022, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.729707038342    
 DIIS: error= 2.84D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.729707038342     IErMin= 1 ErrMin= 2.84D-03
 ErrMax= 2.84D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-03 BMatP= 2.22D-03
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.84D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.498 Goal=   None    Shift=    0.000
 GapD=    0.498 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.19D-02 MaxDP=1.81D+00              OVMax= 9.92D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.05D-02    CP:  1.20D+00
 E= -197.731743319104     Delta-E=       -0.002036280761 Rises=F Damp=F
 DIIS: error= 3.37D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.731743319104     IErMin= 2 ErrMin= 3.37D-04
 ErrMax= 3.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.49D-05 BMatP= 2.22D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.37D-03
 Coeff-Com: -0.722D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.720D-01 0.107D+01
 Gap=     0.435 Goal=   None    Shift=    0.000
 RMSDP=1.36D-03 MaxDP=2.02D-01 DE=-2.04D-03 OVMax= 1.93D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.47D-04    CP:  1.23D+00  1.11D+00
 E= -197.731792996870     Delta-E=       -0.000049677767 Rises=F Damp=F
 DIIS: error= 2.61D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.731792996870     IErMin= 3 ErrMin= 2.61D-04
 ErrMax= 2.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.06D-06 BMatP= 3.49D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.61D-03
 Coeff-Com: -0.262D-01 0.303D+00 0.723D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.261D-01 0.303D+00 0.723D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=8.23D-05 MaxDP=9.94D-03 DE=-4.97D-05 OVMax= 8.07D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.58D-05    CP:  1.23D+00  1.11D+00  1.06D+00
 E= -197.731799508719     Delta-E=       -0.000006511849 Rises=F Damp=F
 DIIS: error= 7.40D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.731799508719     IErMin= 4 ErrMin= 7.40D-05
 ErrMax= 7.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-06 BMatP= 6.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-02-0.597D-01 0.242D+00 0.816D+00
 Coeff:      0.122D-02-0.597D-01 0.242D+00 0.816D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=3.22D-05 MaxDP=1.14D-03 DE=-6.51D-06 OVMax= 1.86D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.35D-05    CP:  1.23D+00  1.12D+00  1.14D+00  1.01D+00
 E= -197.731800596893     Delta-E=       -0.000001088174 Rises=F Damp=F
 DIIS: error= 1.36D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.731800596893     IErMin= 5 ErrMin= 1.36D-05
 ErrMax= 1.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-08 BMatP= 1.02D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-02-0.299D-01 0.308D-01 0.184D+00 0.813D+00
 Coeff:      0.157D-02-0.299D-01 0.308D-01 0.184D+00 0.813D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=5.65D-06 MaxDP=2.41D-04 DE=-1.09D-06 OVMax= 4.32D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.82D-06    CP:  1.23D+00  1.12D+00  1.15D+00  1.02D+00  1.10D+00
 E= -197.731800619129     Delta-E=       -0.000000022236 Rises=F Damp=F
 DIIS: error= 4.15D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.731800619129     IErMin= 6 ErrMin= 4.15D-06
 ErrMax= 4.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-09 BMatP= 2.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.351D-03-0.434D-02-0.366D-02 0.452D-02 0.257D+00 0.746D+00
 Coeff:      0.351D-03-0.434D-02-0.366D-02 0.452D-02 0.257D+00 0.746D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=1.46D-06 MaxDP=1.75D-04 DE=-2.22D-08 OVMax= 1.45D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.67D-07    CP:  1.23D+00  1.12D+00  1.15D+00  1.03D+00  1.14D+00
                    CP:  1.06D+00
 E= -197.731800621755     Delta-E=       -0.000000002625 Rises=F Damp=F
 DIIS: error= 5.11D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.731800621755     IErMin= 7 ErrMin= 5.11D-07
 ErrMax= 5.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-11 BMatP= 2.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.865D-04 0.171D-02-0.216D-02-0.127D-01-0.544D-01 0.218D-01
 Coeff-Com:  0.105D+01
 Coeff:     -0.865D-04 0.171D-02-0.216D-02-0.127D-01-0.544D-01 0.218D-01
 Coeff:      0.105D+01
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=5.30D-07 MaxDP=3.52D-05 DE=-2.63D-09 OVMax= 3.69D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.38D-07    CP:  1.23D+00  1.11D+00  1.15D+00  1.03D+00  1.15D+00
                    CP:  1.14D+00  1.29D+00
 E= -197.731800621863     Delta-E=       -0.000000000109 Rises=F Damp=F
 DIIS: error= 4.94D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.731800621863     IErMin= 8 ErrMin= 4.94D-08
 ErrMax= 4.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-13 BMatP= 5.36D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.934D-05-0.228D-03 0.398D-03 0.211D-02 0.620D-02-0.102D-01
 Coeff-Com: -0.204D+00 0.121D+01
 Coeff:      0.934D-05-0.228D-03 0.398D-03 0.211D-02 0.620D-02-0.102D-01
 Coeff:     -0.204D+00 0.121D+01
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=1.17D-07 MaxDP=1.43D-05 DE=-1.09D-10 OVMax= 5.58D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.46D-08    CP:  1.23D+00  1.12D+00  1.15D+00  1.03D+00  1.15D+00
                    CP:  1.15D+00  1.35D+00  1.20D+00
 E= -197.731800621866     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 3.36D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -197.731800621866     IErMin= 9 ErrMin= 3.36D-09
 ErrMax= 3.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-15 BMatP= 3.59D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-05 0.302D-04-0.616D-04-0.293D-03-0.746D-03 0.193D-02
 Coeff-Com:  0.296D-01-0.222D+00 0.119D+01
 Coeff:     -0.111D-05 0.302D-04-0.616D-04-0.293D-03-0.746D-03 0.193D-02
 Coeff:      0.296D-01-0.222D+00 0.119D+01
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=8.87D-09 MaxDP=6.85D-07 DE=-2.79D-12 OVMax= 3.74D-08

 SCF Done:  E(RwB97XD) =  -197.731800622     A.U. after    9 cycles
            NFock=  9  Conv=0.89D-08     -V/T= 2.0074
 KE= 1.962704179569D+02 PE=-8.537211270461D+02 EE= 2.611349293784D+02
 Leave Link  502 at Thu Jan 27 11:50:26 2022, MaxMem=  5368709120 cpu:             289.9 elap:              36.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.10826510D+03

 Leave Link  801 at Thu Jan 27 11:50:26 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 1.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 8.81D-02 6.82D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D-02 2.07D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D-03 9.36D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 2.52D-05 1.70D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 2.20D-07 1.48D-04.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 4.59D-09 1.77D-05.
     11 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 5.98D-11 1.92D-06.
      8 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 5.95D-13 1.44D-07.
      3 vectors produced by pass  9 Test12= 7.07D-14 8.33D-09 XBig12= 8.74D-15 1.31D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension    99 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.666948D+02
      2  0.234213D-02  0.666917D+02
      3  0.458824D-02  0.453846D-02  0.667046D+02
 Isotropic polarizability for W=    0.085645       66.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.384324D+00  0.154415D-01  0.136442D+01
      2   0.171805D+01 -0.107100D+01 -0.503628D+00
      3  -0.133372D+01  0.105556D+01 -0.860795D+00
      4   0.183574D-01  0.173672D+01  0.183773D+01
      5   0.137557D+01  0.184029D+01 -0.130425D+01
      6   0.184708D+01 -0.499430D+00  0.105606D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.486700D-03 -0.773184D-02 -0.587832D-02
      2   0.512323D-02  0.126558D-02  0.986928D-02
      3  -0.336993D-02 -0.257333D-02 -0.770228D-03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.255946D-02  0.419834D-02 -0.502057D-03
      2  -0.111443D-01 -0.935027D-02  0.294718D-01
      3   0.291590D-02 -0.186762D-01  0.679082D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.887539D-03 -0.216097D-03  0.261379D-02
      2  -0.216097D-03 -0.296603D-02 -0.474538D-03
      3   0.261379D-02 -0.474538D-03  0.208714D-02
 OR G Eigenvalues:    -0.0030    -0.0012     0.0042  Iso=    -0.0000
 Eigenvectors:
   (1)  -0.010590   0.995124   0.098066
   (2)   0.784377   0.069094  -0.616424
   (3)   0.620194  -0.070393   0.781284
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0000 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =       -0.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.15D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.72D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.75D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 5.26D-03 1.74D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 5.99D-04 5.14D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 8.23D-06 6.07D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 1.68D-07 8.34D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 2.72D-09 1.23D-05.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 7.56D-12 6.27D-07.
     15 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 3.36D-14 4.24D-08.
      2 vectors produced by pass  8 Test12= 1.18D-14 2.78D-09 XBig12= 2.68D-16 3.61D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   227 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 6.63D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 6.63D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.83D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.666948D+02  0.234213D-02  0.458824D-02
      2   0.234213D-02  0.666917D+02  0.453846D-02
      3   0.458824D-02  0.453846D-02  0.667046D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.486700D-03 -0.773184D-02 -0.587832D-02
      2   0.512323D-02  0.126558D-02  0.986928D-02
      3  -0.336993D-02 -0.257333D-02 -0.770228D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.384324D+00  0.154415D-01  0.136442D+01
      2   0.171805D+01 -0.107100D+01 -0.503628D+00
      3  -0.133372D+01  0.105556D+01 -0.860795D+00
      4   0.183574D-01  0.173672D+01  0.183773D+01
      5   0.137557D+01  0.184029D+01 -0.130425D+01
      6   0.184708D+01 -0.499430D+00  0.105606D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.108789D+01  0.568202D-01  0.407915D+01  0.801932D-01  0.507794D+01
      2   0.568202D-01  0.506280D+01  0.540994D+01  0.507794D+01 -0.313915D+01
      3   0.407915D+01  0.540994D+01 -0.387633D+01  0.542558D+01 -0.152585D+01
                 6             7             8             9            10 
      1   0.542558D+01  0.402948D+01  0.544785D+01 -0.396178D+01 -0.633864D+00
      2  -0.152585D+01  0.544785D+01 -0.156388D+01  0.309413D+01 -0.504709D-01
      3   0.314399D+01 -0.396178D+01  0.309413D+01 -0.259597D+01 -0.278552D+01
                11            12            13            14            15 
      1  -0.504709D-01 -0.278552D+01  0.205339D+00 -0.464917D+01 -0.405064D+01
      2  -0.363186D+01 -0.406433D+01 -0.464917D+01  0.150736D+01  0.196619D+01
      3  -0.406433D+01  0.334967D+01 -0.405064D+01  0.196619D+01 -0.203572D+01
                16            17            18            19            20 
      1  -0.365616D+01 -0.404029D+01  0.235146D+01  0.224266D+01  0.260100D+00
      2  -0.404029D+01  0.110291D+01 -0.228245D+01  0.260100D+00 -0.408282D+01
      3   0.235146D+01 -0.228245D+01  0.321925D+01 -0.264515D+01 -0.429030D+01
                21            22            23            24            25 
      1  -0.264515D+01 -0.583622D+00 -0.317660D+01 -0.429129D+01 -0.321217D+01
      2  -0.429030D+01 -0.317660D+01  0.365261D+01  0.132886D+01 -0.424234D+01
      3   0.254062D+01 -0.429129D+01  0.132886D+01 -0.240399D+01  0.342482D+01
                26            27            28            29            30 
      1  -0.424234D+01  0.342482D+01  0.209466D+01 -0.879173D+00 -0.309877D+01
      2   0.695789D+00 -0.152915D+01 -0.879173D+00 -0.430889D+01 -0.406627D+01
      3  -0.152915D+01  0.307519D+01 -0.309877D+01 -0.406627D+01  0.278540D+01
                31            32            33            34            35 
      1   0.256348D+00 -0.368136D+01 -0.407214D+01 -0.269913D+01 -0.407513D+01
      2  -0.368136D+01  0.943753D+00  0.114947D+01 -0.407513D+01  0.153078D+01
      3  -0.407214D+01  0.114947D+01 -0.222567D+01  0.340409D+01 -0.332913D+01
                36            37            38            39            40 
      1   0.340409D+01 -0.323320D+00  0.505273D+00 -0.387457D+01 -0.111750D+00
      2  -0.332913D+01  0.505273D+00 -0.346522D+01 -0.414225D+01 -0.393623D+01
      3   0.100803D+01 -0.387457D+01 -0.414225D+01  0.328086D+01 -0.416652D+01
                41            42            43            44            45 
      1  -0.393623D+01 -0.416652D+01 -0.269557D+01 -0.413305D+01  0.284405D+01
      2   0.345152D+01  0.212722D+00 -0.413305D+01  0.132490D+01 -0.226770D+01
      3   0.212722D+00 -0.290765D+01  0.284405D+01 -0.226770D+01  0.550588D+00
                46            47            48            49            50 
      1  -0.687018D+00  0.433804D+00 -0.611331D+00  0.726780D+00  0.274592D+00
      2   0.433804D+00 -0.545752D+00  0.103644D+01  0.274592D+00  0.185118D+01
      3  -0.611331D+00  0.103644D+01 -0.224685D+01  0.366813D+00 -0.208472D+01
                51            52            53            54            55 
      1   0.366813D+00 -0.105814D+01  0.406833D+00 -0.346521D+00  0.318952D+01
      2  -0.208472D+01  0.406833D+00 -0.208418D+01  0.253544D+01 -0.178076D+01
      3   0.283933D+01 -0.346521D+00  0.253544D+01 -0.703932D+01 -0.102456D+01
                56            57            58            59            60 
      1  -0.178076D+01 -0.102456D+01 -0.328432D+01  0.282384D+01  0.176428D+01
      2   0.214342D+01  0.104008D+01  0.282384D+01 -0.447461D+01 -0.173217D+01
      3   0.104008D+01  0.880455D+00  0.176428D+01 -0.173217D+01 -0.193063D+01
                61            62            63            64            65 
      1  -0.690804D+00  0.958070D+00  0.902531D+00  0.495372D+01  0.238656D+01
      2   0.958070D+00 -0.111496D+01 -0.877203D+00  0.238656D+01  0.244410D+01
      3   0.902531D+00 -0.877203D+00 -0.170073D+01  0.832902D+00  0.728508D+00
                66            67            68            69            70 
      1   0.832902D+00  0.309082D+01  0.280913D+01  0.676953D+00  0.250282D+01
      2   0.728508D+00  0.280913D+01  0.306988D+01  0.370105D+00  0.143159D+01
      3   0.853655D+00  0.676953D+00  0.370105D+00  0.122875D+01  0.791427D+00
                71            72            73            74            75 
      1   0.143159D+01  0.791427D+00 -0.227347D+01  0.295492D+00 -0.159395D+01
      2   0.132177D+01  0.967999D+00  0.295492D+00 -0.283970D+00  0.655179D+00
      3   0.967999D+00  0.896198D+00 -0.159395D+01  0.655179D+00 -0.222425D+01
                76            77            78            79            80 
      1   0.137360D+01 -0.331940D+00  0.141128D+01 -0.218098D+01  0.590389D+00
      2  -0.331940D+00  0.824455D+00 -0.117653D+01  0.590389D+00 -0.145829D+01
      3   0.141128D+01 -0.117653D+01  0.244800D+01 -0.289806D+01  0.894354D+00
                81            82            83            84            85 
      1  -0.289806D+01 -0.612255D+01 -0.191864D+01  0.190079D+01 -0.120552D+01
      2   0.894354D+00 -0.191864D+01 -0.139798D+01  0.849627D+00 -0.104649D+01
      3  -0.640017D+01  0.190079D+01  0.849627D+00 -0.194366D+01  0.776220D+00
                86            87            88            89            90 
      1  -0.104649D+01  0.776220D+00  0.355432D+01  0.152213D+01 -0.204214D+01
      2  -0.153022D+01  0.438809D+00  0.152213D+01  0.137305D+01 -0.613963D+00
      3   0.438809D+00 -0.320469D+00 -0.204214D+01 -0.613963D+00  0.186642D+01
                91            92            93            94            95 
      1   0.103310D+01 -0.119435D+01 -0.215050D+00 -0.144431D+01  0.114657D+01
      2  -0.119435D+01  0.308185D+01  0.123175D+01  0.114657D+01 -0.740618D+01
      3  -0.215050D+00  0.123175D+01  0.821171D+00  0.549606D+00 -0.216332D+01
                96            97            98            99           100 
      1   0.549606D+00 -0.179611D+00  0.582394D+00 -0.271910D-02 -0.200261D+01
      2  -0.216332D+01  0.582394D+00 -0.166488D+01 -0.132480D+01  0.139488D+01
      3  -0.161374D+01 -0.271910D-02 -0.132480D+01 -0.150254D+01 -0.938060D+00
               101           102           103           104           105 
      1   0.139488D+01 -0.938060D+00  0.112958D+01 -0.101322D+01  0.106546D+01
      2  -0.109116D+01  0.111810D+01 -0.101322D+01  0.302240D+01 -0.173472D+01
      3   0.111810D+01 -0.152522D+01  0.106546D+01 -0.173472D+01  0.184665D+01
               106           107           108           109           110 
      1  -0.187942D+01  0.180707D+01 -0.190575D+01  0.207806D+01  0.175945D+01
      2   0.180707D+01 -0.338365D+01  0.256072D+01  0.175945D+01  0.364158D+01
      3  -0.190575D+01  0.256072D+01 -0.409275D+01  0.128053D+01  0.166887D+01
               111           112           113           114           115 
      1   0.128053D+01  0.145984D+01  0.172954D+01  0.988263D+00  0.127251D+01
      2   0.166887D+01  0.172954D+01  0.475493D+01  0.177131D+01  0.103168D+01
      3   0.140254D+01  0.988263D+00  0.177131D+01  0.177141D+01  0.576217D+00
               116           117           118           119           120 
      1   0.103168D+01  0.576217D+00 -0.550232D+01  0.606157D+00  0.296645D+01
      2   0.222340D+01  0.205936D+01  0.606157D+00 -0.970308D+00  0.281586D-01
      3   0.205936D+01  0.202493D+01  0.296645D+01  0.281586D-01 -0.282087D+01
               121           122           123           124           125 
      1  -0.920931D+00 -0.319731D+00  0.768776D+00  0.324759D+01 -0.459122D-01
      2  -0.319731D+00 -0.310664D+00  0.396960D+00 -0.459122D-01  0.962865D+00
      3   0.768776D+00  0.396960D+00 -0.457241D+00 -0.277127D+01  0.615488D+00
               126           127           128           129           130 
      1  -0.277127D+01  0.240231D+01 -0.212064D+01  0.477536D+00 -0.239367D+01
      2   0.615488D+00 -0.212064D+01  0.290424D+01  0.157617D+00  0.299311D+01
      3   0.325129D+01  0.477536D+00  0.157617D+00  0.523156D+00  0.931595D-01
               131           132           133           134           135 
      1   0.299311D+01  0.931595D-01 -0.461140D+00  0.854106D+00  0.180232D+00
      2  -0.669639D+01  0.366568D+00  0.854106D+00 -0.131333D+01 -0.526079D+00
      3   0.366568D+00 -0.120234D+01  0.180232D+00 -0.526079D+00 -0.415206D+00
               136           137           138           139           140 
      1  -0.318699D+01 -0.970190D+00  0.263577D+01 -0.665484D+00 -0.415277D+00
      2  -0.970190D+00 -0.123711D+01  0.153458D+01 -0.415277D+00 -0.133809D+01
      3   0.263577D+01  0.153458D+01 -0.412396D+01  0.849949D+00  0.112801D+01
               141           142           143           144           145 
      1   0.849949D+00  0.211188D+01  0.890997D+00 -0.218670D+01  0.382599D+01
      2   0.112801D+01  0.890997D+00  0.110094D+01 -0.114481D+01  0.121567D+01
      3  -0.876301D+00 -0.218670D+01 -0.114481D+01  0.476881D+01  0.261385D+01
               146           147           148           149           150 
      1   0.121567D+01  0.261385D+01  0.228713D+01  0.171529D+01  0.184425D+01
      2   0.173707D+01  0.110430D+01  0.171529D+01  0.181723D+01  0.128830D+01
      3   0.110430D+01  0.232362D+01  0.184425D+01  0.128830D+01  0.269560D+01
               151           152           153 
      1   0.199454D+01  0.101361D+01  0.164012D+01
      2   0.101361D+01  0.946764D+00  0.116779D+01
      3   0.164012D+01  0.116779D+01  0.308599D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107474D-01  0.346006D-02  0.339603D-02  0.128020D-01 -0.846983D-02
      2  -0.798978D-02  0.481108D-02  0.466658D+01 -0.792527D-03 -0.101377D-02
      3  -0.304336D-01 -0.467736D+01 -0.149813D-01  0.466334D+01 -0.201591D-01
                 6             7             8             9            10 
      1  -0.467140D+01  0.181326D-01  0.464412D+01 -0.757315D-02  0.111715D+01
      2   0.353794D-02 -0.464369D+01 -0.798683D-02  0.951438D-02 -0.652241D+01
      3  -0.136633D-01  0.391317D-02 -0.349691D-02 -0.929344D-02 -0.864988D+00
                11            12            13            14            15 
      1   0.639631D+01  0.351807D+01  0.790724D+01 -0.183106D+01 -0.399559D+01
      2  -0.588041D+01  0.307769D+01 -0.549238D+01 -0.249134D+01 -0.752033D+01
      3   0.410930D+01  0.476523D+01  0.941887D+01 -0.310804D+01 -0.541978D+01
                16            17            18            19            20 
      1   0.403003D+01  0.760904D+00  0.724920D+00 -0.310586D+01 -0.190245D+01
      2  -0.336157D+01 -0.798198D+01  0.899717D+01  0.611982D+01  0.586028D+01
      3   0.432061D+01 -0.383913D+01  0.395574D+01 -0.387137D+01 -0.688117D+01
                21            22            23            24            25 
      1   0.697322D+01 -0.288111D+01 -0.270975D+01 -0.523300D+01  0.823746D+01
      2  -0.362861D+01  0.493554D+01 -0.412462D+01 -0.141207D+01 -0.895828D+01
      3  -0.275578D+01 -0.923726D+00  0.941953D+01  0.700413D+01 -0.182179D+01
                26            27            28            29            30 
      1   0.603696D-01  0.581701D+01  0.429606D+01  0.441719D+01 -0.675435D+01
      2  -0.272047D+01 -0.204778D+01  0.113817D+01  0.436419D+01  0.479514D+00
      3   0.597606D+01 -0.551067D+01  0.415267D+01 -0.809249D+01 -0.866073D+01
                31            32            33            34            35 
      1   0.480564D+01 -0.223728D+01  0.333809D+01 -0.801989D+01  0.915745D+01
      2   0.367896D+01  0.705770D+00  0.441439D+01 -0.379827D+01  0.566980D+01
      3  -0.174771D+01 -0.653023D+01 -0.551373D+01 -0.786605D+01 -0.508995D+01
                36            37            38            39            40 
      1  -0.208600D+01 -0.230694D+01 -0.889318D+01 -0.374508D+01 -0.981746D+01
      2  -0.185375D+01 -0.743062D+00 -0.434649D+01  0.109634D+02 -0.316629D+01
      3   0.235279D+01  0.606358D+00 -0.104905D+00  0.665340D+01  0.425971D+01
                41            42            43            44            45 
      1   0.682663D+01 -0.502825D+01 -0.422246D+01  0.117270D+01 -0.449490D+01
      2   0.590821D+01  0.453457D+01  0.495377D+01  0.502859D+01 -0.511489D+01
      3   0.198063D+00  0.390907D+01  0.541881D+01  0.292450D+01 -0.809220D+00
                46            47            48            49            50 
      1  -0.301080D+00  0.911679D+00  0.115310D+00 -0.401018D+00 -0.220175D+01
      2  -0.263115D+01  0.166410D+01 -0.218396D+01  0.278406D+01 -0.234395D+01
      3  -0.135747D+01 -0.753196D-01 -0.136968D+01  0.146495D+01 -0.194417D+01
                51            52            53            54            55 
      1  -0.222161D+00 -0.414887D+00  0.415766D+01  0.743574D+00  0.241024D+01
      2   0.437266D+01 -0.513549D+01  0.414471D+01 -0.955681D+01  0.246049D+01
      3   0.272563D+01 -0.228338D+01  0.285119D+01 -0.373895D+01  0.255103D+01
                56            57            58            59            60 
      1  -0.373515D+01 -0.710071D+00 -0.339193D+01  0.668353D+01 -0.531985D-01
      2  -0.495068D+00  0.171300D+01 -0.202397D+01  0.870379D+00 -0.198112D+01
      3  -0.564345D+01 -0.189987D+01 -0.225436D+01  0.873489D+01  0.252851D+01
                61            62            63            64            65 
      1  -0.152003D+01  0.280110D+01  0.901182D+00 -0.308193D+01 -0.285270D+01
      2  -0.873067D+00  0.103828D+00 -0.159066D+01  0.601229D+01  0.397183D+01
      3  -0.136466D+01  0.266279D+01  0.142907D+01 -0.379429D+00 -0.477622D+01
                66            67            68            69            70 
      1  -0.250761D+01 -0.315785D+01 -0.292304D+01 -0.299416D+01 -0.161191D+01
      2   0.466050D+01  0.406368D+01  0.363506D+01  0.420327D+01  0.214345D+01
      3  -0.901216D+00 -0.697416D+00 -0.413289D+01 -0.457206D+00 -0.159713D+00
                71            72            73            74            75 
      1  -0.760328D+00 -0.221563D+01 -0.193869D+01  0.200397D+01 -0.319689D+01
      2   0.273384D+01  0.314142D+01 -0.843725D+00 -0.634312D+00  0.288625D+01
      3  -0.206315D+01 -0.113107D+01  0.231956D+01 -0.203523D+01  0.256017D+01
                76            77            78            79            80 
      1   0.137012D+01 -0.307949D+01  0.235746D+01 -0.352938D+01  0.546297D+01
      2   0.583628D+00  0.121421D+01 -0.210238D+01 -0.118554D+01 -0.882217D+00
      3  -0.415683D+00  0.196855D+01 -0.257628D+01  0.256141D+01 -0.383292D+01
                81            82            83            84            85 
      1  -0.718039D+01  0.380925D+01  0.116046D+01 -0.397906D+01  0.171747D+01
      2   0.594940D+01 -0.620741D+01 -0.244327D+01  0.694619D+01 -0.201790D+01
      3   0.441994D+01  0.506482D+01 -0.207281D+01 -0.135404D+01  0.149368D+01
                86            87            88            89            90 
      1   0.120036D+01 -0.175256D+01 -0.315126D+01  0.526894D-01  0.320262D+01
      2  -0.122155D+01  0.170055D+01  0.343645D+01  0.146497D+01 -0.533852D+01
      3  -0.111017D+01 -0.512624D+00 -0.259905D+01  0.134804D+01  0.169339D+01
                91            92            93            94            95 
      1   0.834352D+00 -0.144612D+01  0.100368D+01 -0.538562D+00  0.433124D+01
      2   0.161586D+01 -0.206735D+01  0.194492D+00 -0.292968D+01  0.361017D+01
      3  -0.386454D+01  0.328397D+01  0.123623D+01  0.654733D+01 -0.921335D+01
                96            97            98            99           100 
      1  -0.289068D+01 -0.547176D+00  0.121633D+01 -0.118590D+01  0.187935D+01
      2   0.172419D+01 -0.122509D+01  0.183447D+01  0.127891D+01  0.807289D+00
      3  -0.306213D+01  0.168053D+01 -0.278521D+01 -0.130721D+01 -0.224019D+01
               101           102           103           104           105 
      1  -0.173650D+01  0.387922D+01 -0.231386D+01  0.304619D+01 -0.563798D+01
      2  -0.152569D+01  0.309919D+01 -0.737111D+00  0.198904D+01 -0.294621D+01
      3  -0.240399D+00 -0.336456D+00  0.251726D+01  0.141262D+01  0.337385D+00
               106           107           108           109           110 
      1   0.338556D+01 -0.252630D+01  0.896387D+01 -0.125329D+01 -0.620287D-02
      2   0.787709D-01 -0.258449D+01  0.542797D+01 -0.294312D+01 -0.193727D+01
      3  -0.254543D+01 -0.105522D+01 -0.803532D+00  0.615742D+01  0.344101D+01
               111           112           113           114           115 
      1  -0.257038D+01 -0.931616D+00  0.165410D+00 -0.410064D+01 -0.445753D+00
      2  -0.191108D+00 -0.260282D+01 -0.238501D+01 -0.132628D+01 -0.256276D+01
      3   0.318604D+01  0.632795D+01  0.576334D+01  0.330670D+01  0.420649D+01
               116           117           118           119           120 
      1  -0.509750D+00 -0.281447D+01 -0.437793D+01 -0.213538D+01  0.466767D+01
      2  -0.198843D+01 -0.118989D+01  0.118918D+01 -0.375907D+00  0.350353D+01
      3   0.301515D+01  0.245037D+01 -0.766674D+01 -0.288525D+01  0.474084D+01
               121           122           123           124           125 
      1  -0.975391D+00 -0.118620D+01 -0.106700D+00  0.409578D+01  0.177989D+01
      2   0.819228D-01 -0.219959D+00  0.332628D+00 -0.988302D+00 -0.414329D+00
      3  -0.402532D+00 -0.132851D+01  0.119555D+01  0.524653D+01  0.250219D+01
               126           127           128           129           130 
      1  -0.440699D+01 -0.262762D+01  0.480515D+01  0.206310D+01  0.457831D+01
      2  -0.266596D+01 -0.286543D+01  0.312235D+01  0.133809D+01  0.368701D+01
      3  -0.369749D+01 -0.159166D+01 -0.177179D+01 -0.511974D+00  0.270820D+01
               131           132           133           134           135 
      1  -0.945338D+01 -0.392177D+01  0.104577D+01 -0.111062D+01 -0.186309D+01
      2  -0.437697D+01 -0.245576D+01 -0.227980D+00 -0.128305D+01 -0.990865D+00
      3   0.300142D+01 -0.211587D+00  0.321055D+00  0.397328D+00  0.242239D+00
               136           137           138           139           140 
      1   0.718956D+00 -0.205654D+01 -0.150986D+01  0.244276D+00 -0.144276D+01
      2   0.820765D+01  0.200591D+01 -0.395602D+01  0.226334D+01  0.110356D+01
      3   0.388098D+01 -0.559242D+00 -0.272393D+01  0.179074D+01  0.597088D+00
               141           142           143           144           145 
      1  -0.318589D+00 -0.435860D+00  0.281755D+01  0.244194D+01  0.391722D+01
      2  -0.179255D+01 -0.726151D+01 -0.214457D+01  0.525692D+01 -0.478367D+01
      3  -0.132974D+01 -0.312384D+01 -0.480557D+00  0.258578D+01 -0.286738D+01
               146           147           148           149           150 
      1   0.506599D+01  0.274963D+01  0.377018D+01  0.481820D+01  0.187426D+01
      2  -0.128609D+01 -0.211877D+00 -0.310719D+01 -0.187198D+01  0.250925D+00
      3  -0.436939D+01 -0.261508D+01 -0.139804D+01 -0.370660D+01 -0.190723D+01
               151           152           153 
      1   0.308724D+01  0.417404D+01  0.346165D+01
      2  -0.374347D+01 -0.974064D+00  0.284825D+00
      3  -0.199542D+01 -0.252761D+01 -0.212188D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.400489D+01 -0.325751D+01  0.295310D+01 -0.329101D+01 -0.147255D+01
      2  -0.155812D+01  0.350658D+01 -0.144325D+01  0.351532D+01  0.974615D+00
      3  -0.244677D+01 -0.249069D+00 -0.150985D+01 -0.224308D+00  0.497932D+00
      4  -0.337178D+01 -0.322356D+01 -0.995904D+00 -0.324972D+01  0.355520D+01
      5   0.303891D+01 -0.957847D+00 -0.413923D+01 -0.952667D+00 -0.141889D+01
      6  -0.988502D+00 -0.137649D+01 -0.337447D+00 -0.142459D+01 -0.413092D+01
                 6             7             8             9            10 
      1  -0.975334D+00  0.305670D+01 -0.934889D+00 -0.243670D+01 -0.512528D+01
      2  -0.411920D+01 -0.138875D+01 -0.416506D+01  0.558293D+00 -0.441896D+01
      3   0.509454D+01 -0.166795D+01  0.509995D+01  0.187841D+01  0.954424D+01
      4  -0.144320D+01 -0.967025D+00 -0.133880D+01 -0.199283D+00 -0.127608D+01
      5  -0.191409D+00 -0.422928D+01 -0.192049D+00 -0.159952D+01 -0.656317D+01
      6  -0.124314D+01 -0.196162D+00 -0.123933D+01  0.508799D+01 -0.443336D+01
                11            12            13            14            15 
      1  -0.433709D+01 -0.246792D+01 -0.462843D+01 -0.844519D+01 -0.146257D+02
      2  -0.646906D+01  0.381997D+01 -0.526027D+01  0.543184D+01  0.160730D+01
      3   0.108061D+02 -0.135205D+01  0.988870D+01  0.301335D+01  0.130184D+02
      4  -0.127224D+02 -0.103593D+02 -0.136840D+02  0.267668D+01  0.174529D+01
      5  -0.899467D+01  0.665561D+01 -0.987988D+01  0.674692D+01  0.309199D+01
      6   0.432307D+01  0.896757D+01  0.481466D+01 -0.399696D+01 -0.702656D+01
                16            17            18            19            20 
      1  -0.285761D+01 -0.148007D+02  0.141976D+02 -0.855722D+01 -0.924159D+01
      2   0.326614D+01  0.243579D+01 -0.181235D+01  0.257924D+01  0.656333D+01
      3  -0.408531D+00  0.123649D+02 -0.123853D+02  0.597798D+01  0.267826D+01
      4  -0.115451D+02  0.559334D+00 -0.926030D+00 -0.370153D+01  0.205511D+01
      5   0.692792D+01  0.240137D+01 -0.147762D+01  0.577381D+01  0.761025D+01
      6   0.728497D+01 -0.697978D+01  0.807562D+01  0.704913D+01  0.113625D+02
                21            22            23            24            25 
      1   0.569009D+01 -0.923486D+01  0.141612D+02  0.945337D+01  0.637830D+01
      2   0.903157D+01  0.515891D+01 -0.141547D+02 -0.114599D+02  0.795694D+01
      3  -0.147217D+02  0.407596D+01 -0.651602D-02  0.200650D+01 -0.143352D+02
      4   0.114540D+02  0.304245D+01  0.384749D+01  0.501611D+01  0.122782D+02
      5  -0.577601D+01  0.783709D+01  0.441932D+01  0.859519D+01 -0.705036D+01
      6   0.373358D+00  0.100826D+02 -0.748755D+01 -0.139998D+01  0.308642D+00
                26            27            28            29            30 
      1   0.101255D+02 -0.538289D+01 -0.308669D+01  0.729049D+01  0.113231D+02
      2  -0.113504D+02  0.116967D+02  0.528259D+01 -0.958847D+01 -0.174879D+02
      3   0.122490D+01 -0.631381D+01 -0.219590D+01  0.229798D+01  0.616478D+01
      4   0.516560D+01  0.974297D+00  0.210545D+01 -0.294748D+00 -0.220700D+01
      5   0.710876D+01 -0.932768D+01  0.684954D+01  0.306809D+01 -0.105324D+02
      6  -0.543880D+00  0.126331D+01 -0.543757D+01 -0.139180D+02  0.435286D+01
                31            32            33            34            35 
      1   0.732149D+01  0.509027D+01  0.595408D+01  0.117968D+02  0.483762D+01
      2  -0.903320D+01 -0.136413D+01 -0.582189D-01 -0.172012D+02 -0.363586D-04
      3   0.171171D+01 -0.372614D+01 -0.589587D+01  0.540435D+01 -0.483759D+01
      4   0.230671D+00 -0.112779D+02 -0.119221D+02 -0.138487D+01 -0.128602D+02
      5   0.484344D+01 -0.720020D+01  0.914411D+00 -0.106094D+02  0.215446D+01
      6  -0.127968D+02  0.277946D+01 -0.898420D+01  0.505245D+01 -0.948472D+01
                36            37            38            39            40 
      1  -0.235172D+01  0.326981D+01  0.171730D+01 -0.103638D+02  0.198254D+01
      2  -0.284221D+01  0.397712D+01  0.144874D+02  0.267713D+01  0.140424D+02
      3   0.519393D+01 -0.724693D+01 -0.162047D+02  0.768664D+01 -0.160249D+02
      4   0.801904D+01 -0.162897D+01 -0.764366D+01 -0.103614D+00 -0.817699D+01
      5  -0.146812D-01 -0.179060D+01 -0.295562D+01 -0.103170D+02 -0.401273D+01
      6   0.335809D+01  0.158053D+01 -0.362271D+01 -0.140548D+02 -0.403599D+01
                41            42            43            44            45 
      1  -0.348485D+01 -0.207570D+01 -0.112599D+02 -0.151472D+01 -0.511633D+00
      2  -0.743437D+01  0.425136D+01  0.400990D+01  0.346728D+01  0.297084D+01
      3   0.109192D+02 -0.217566D+01  0.724999D+01 -0.195255D+01 -0.245920D+01
      4   0.964600D+01  0.325348D+01 -0.597222D+00  0.511924D+01 -0.845750D+01
      5  -0.586987D+01 -0.129751D+02 -0.884316D+01 -0.120520D+02  0.862383D+01
      6   0.317279D+01  0.165242D+01 -0.130398D+02  0.149588D+01 -0.585257D+01
                46            47            48            49            50 
      1  -0.125433D+01  0.330725D+01 -0.571351D+01  0.300284D+01 -0.591208D+01
      2  -0.530580D+00 -0.107772D+01 -0.163441D+01 -0.927025D+00  0.246008D+01
      3   0.178491D+01 -0.222953D+01  0.734792D+01 -0.207582D+01  0.345200D+01
      4  -0.842778D+00  0.221035D+01 -0.146496D+00  0.380888D+01  0.226249D+01
      5   0.304279D+01 -0.691008D+00  0.285291D+01 -0.171782D+01 -0.270351D+01
      6  -0.178534D+01  0.302527D+01 -0.394724D+01  0.233057D+00 -0.874413D+01
                51            52            53            54            55 
      1   0.971652D+01 -0.439744D+01  0.927845D+01 -0.199691D+02  0.127702D+02
      2   0.323337D+00  0.122855D+01 -0.440627D+00 -0.102422D+02 -0.722659D+01
      3  -0.100399D+02  0.316889D+01 -0.883782D+01  0.302113D+02 -0.554358D+01
      4  -0.281458D+01 -0.744034D+00 -0.356906D+01  0.370236D+01 -0.779020D+01
      5   0.381268D+01  0.565933D+01  0.311231D+01 -0.922318D+01 -0.950097D+01
      6   0.116905D+02 -0.129896D+01  0.118162D+02 -0.155002D+02  0.468793D+01
                56            57            58            59            60 
      1  -0.569765D+01 -0.286639D+01 -0.916262D+01  0.293809D+01  0.136359D+01
      2   0.454292D+01  0.393438D+01  0.608652D+01  0.880679D+00 -0.402816D+01
      3   0.115473D+01 -0.106799D+01  0.307611D+01 -0.381877D+01  0.266458D+01
      4   0.107120D+02  0.408695D+01  0.121544D+02 -0.155229D+02 -0.503702D+01
      5   0.671720D+01  0.715652D+01  0.101900D+02 -0.761621D+01 -0.887346D+01
      6  -0.541035D+01 -0.351624D+01 -0.633656D+01  0.119167D+02  0.753740D+01
                61            62            63            64            65 
      1  -0.208645D+01  0.186471D+01 -0.130140D+01  0.222000D+02  0.897187D+01
      2   0.359444D+01 -0.281569D+01 -0.362263D+01 -0.617324D+01  0.114938D+01
      3  -0.150799D+01  0.950982D+00  0.492404D+01 -0.160267D+02 -0.101212D+02
      4   0.364268D+01 -0.360033D+01 -0.336842D+01  0.148680D+02  0.136824D+02
      5   0.671897D+01 -0.533948D+01 -0.651680D+01 -0.183322D+01 -0.554857D-02
      6  -0.369086D+01  0.651880D+01  0.290543D+01 -0.157763D+01 -0.290696D+01
                66            67            68            69            70 
      1   0.408125D+01  0.109871D+02  0.493323D+01  0.318854D+01  0.819737D+01
      2  -0.641185D-01  0.405776D+00  0.573085D+01  0.177017D+01 -0.209096D+01
      3  -0.401713D+01 -0.113929D+02 -0.106641D+02 -0.495871D+01 -0.610641D+01
      4   0.342703D+01  0.147594D+02  0.136845D+02  0.221150D+01  0.632753D+01
      5   0.485897D+01 -0.832831D+00 -0.102064D+01  0.373192D+01  0.341191D+01
      6   0.471312D+00 -0.254295D+01 -0.176392D+01  0.352318D+01  0.486582D+00
                71            72            73            74            75 
      1   0.325761D+01  0.119180D+01  0.714721D+01 -0.539047D+00  0.305757D+01
      2   0.223591D+01 -0.271261D+00 -0.783305D+01  0.168524D+01 -0.868993D+01
      3  -0.549352D+01 -0.920538D+00  0.685845D+00 -0.114619D+01  0.563235D+01
      4   0.551940D+01  0.349713D+01  0.140357D+01  0.302562D+01 -0.628253D+00
      5   0.250487D+01  0.452197D+01  0.948983D+01 -0.278943D+01  0.126250D+02
      6   0.221721D+01  0.123202D+01  0.245241D+00  0.303891D+00  0.214936D+01
                76            77            78            79            80 
      1  -0.259815D+01 -0.161344D+01 -0.307369D+00  0.403955D+01 -0.175215D+01
      2   0.351272D+01 -0.614255D+00  0.720170D+01 -0.101076D+02  0.591952D+01
      3  -0.914576D+00  0.222770D+01 -0.689433D+01  0.606806D+01 -0.416737D+01
      4   0.204075D+01 -0.364764D+01  0.262191D+01  0.327761D+00  0.385482D+01
      5  -0.584893D+01  0.301089D+01 -0.699288D+01  0.145604D+02 -0.326419D+01
      6   0.450725D+00 -0.260590D+01  0.327730D+01  0.217719D+01  0.505879D+01
                81            82            83            84            85 
      1  -0.325663D+01  0.258162D+02  0.563323D+01 -0.789252D+01  0.447029D+01
      2  -0.189047D+02 -0.798008D+01  0.152665D+01  0.579330D+00  0.142731D+01
      3   0.221613D+02 -0.178362D+02 -0.715988D+01  0.731319D+01 -0.589760D+01
      4  -0.668568D-01  0.170892D+02  0.107667D+02 -0.583936D+01  0.908885D+01
      5   0.208592D+02 -0.391283D+01 -0.140308D+01  0.766591D+01 -0.112745D+01
      6   0.422012D+01 -0.383436D+01 -0.197500D+01  0.462326D+01 -0.237991D+01
                86            87            88            89            90 
      1   0.654696D+00 -0.195869D+01 -0.118097D+02 -0.201445D+01  0.471447D+01
      2   0.432659D+01 -0.766497D-01  0.266144D+01 -0.171844D+01 -0.317684D+01
      3  -0.498128D+01  0.203534D+01  0.914824D+01  0.373289D+01 -0.153763D+01
      4   0.625408D+01 -0.383922D+01 -0.922840D+01 -0.700980D+01  0.439403D+01
      5  -0.170440D+01  0.550467D+00  0.710381D+01  0.142306D+01 -0.666166D+01
      6  -0.190723D+00  0.323125D+01  0.421316D+01  0.307806D+01 -0.561044D+01
                91            92            93            94            95 
      1  -0.152740D+01  0.826789D+01  0.253944D+01  0.651713D+01 -0.219134D+02
      2   0.338009D+01 -0.104306D+02 -0.201211D+01 -0.594964D+01  0.319986D+02
      3  -0.185269D+01  0.216275D+01 -0.527331D+00 -0.567491D+00 -0.100852D+02
      4  -0.394837D+01  0.377309D+01  0.141028D+00  0.580064D+01  0.427753D+01
      5  -0.307371D+01  0.163192D+01  0.202860D+01  0.245456D+01 -0.298824D+00
      6   0.205256D+01 -0.634322D+01 -0.470441D+01 -0.312528D+01  0.175568D+02
                96            97            98            99           100 
      1  -0.804593D+01  0.117342D+01 -0.711794D+01 -0.467587D+01  0.443283D+01
      2   0.686650D+01 -0.171038D+01  0.616172D+01  0.175756D+01  0.232804D+00
      3   0.117943D+01  0.536957D+00  0.956221D+00  0.291831D+01 -0.466563D+01
      4   0.115090D+01  0.769427D-01  0.110967D+01  0.272846D+00 -0.843308D+01
      5   0.560389D+00  0.305607D+01 -0.249582D+00  0.148961D+01  0.324897D+01
      6   0.112545D+02 -0.180392D+01  0.992695D+01  0.651310D+01 -0.336925D+01
               101           102           103           104           105 
      1  -0.144683D+01  0.919225D+00 -0.123224D+01 -0.548461D+01  0.146636D+01
      2  -0.340151D+01  0.268283D+01 -0.334287D+01  0.134081D+02 -0.633304D+01
      3   0.484834D+01 -0.360205D+01  0.457511D+01 -0.792353D+01  0.486667D+01
      4   0.851827D+01 -0.519052D+01  0.795927D+01 -0.882958D+01  0.680149D+01
      5  -0.299543D+01  0.675085D+01 -0.259374D+01  0.406965D+01 -0.371686D+01
      6   0.457064D+01 -0.530016D+01  0.465790D+01 -0.758619D+01  0.995729D+01
               106           107           108           109           110 
      1   0.224463D+01  0.374556D+01 -0.265363D+01 -0.219995D+01 -0.882068D+01
      2   0.242842D+01 -0.104335D+02  0.282694D+01  0.384795D+01  0.132031D+02
      3  -0.467304D+01  0.668799D+01 -0.173310D+00 -0.164799D+01 -0.438241D+01
      4  -0.866336D+01  0.100929D+02 -0.763514D+01  0.894427D+01  0.719589D+01
      5   0.720248D+01 -0.480388D+01  0.918836D+01  0.301234D+01  0.173288D+01
      6  -0.601299D+01  0.114474D+02 -0.154760D+02  0.512488D+01  0.853014D+01
               111           112           113           114           115 
      1  -0.556824D+01 -0.630027D+01 -0.154825D+02 -0.783527D+01 -0.471263D+01
      2   0.410766D+01  0.796832D+01  0.233286D+02  0.734941D+01  0.383554D+01
      3   0.146058D+01 -0.166805D+01 -0.784608D+01  0.485855D+00  0.877084D+00
      4   0.379866D+01  0.732032D+01  0.487845D+01  0.299938D+01  0.419832D+01
      5   0.363120D+01  0.128126D+01  0.152141D+01  0.384033D-01  0.424555D+01
      6   0.688320D+01  0.559751D+01  0.125930D+02  0.109907D+02  0.358785D+01
               116           117           118           119           120 
      1  -0.864081D+01 -0.687454D+01  0.184596D+02  0.569735D+00 -0.714960D+01
      2   0.867328D+01  0.375272D+01 -0.133930D+02 -0.269995D+01  0.981616D+01
      3  -0.324660D-01  0.312183D+01 -0.506661D+01  0.213021D+01 -0.266656D+01
      4   0.278671D+01  0.143471D+01 -0.117050D+02  0.641325D+01  0.623395D+01
      5   0.469810D+00  0.121636D+01 -0.156468D+02  0.905428D+00  0.134981D+02
      6   0.117207D+02  0.963876D+01  0.662226D+01 -0.178319D+01 -0.692944D+01
               121           122           123           124           125 
      1   0.279989D+01  0.536117D+00 -0.120360D+01 -0.823862D+01 -0.169666D+01
      2  -0.302969D+01 -0.405750D+00  0.294862D+01  0.100329D+02  0.301795D+01
      3   0.229799D+00 -0.130367D+00 -0.174503D+01 -0.179426D+01 -0.132129D+01
      4   0.331190D+01  0.112285D+01 -0.107294D+01  0.726768D+01 -0.265647D+01
      5  -0.194567D+01 -0.171815D+01  0.165293D+01  0.134945D+02 -0.128054D+01
      6  -0.667344D+00 -0.250031D+00  0.280864D+01 -0.604315D+01  0.512899D+01
               126           127           128           129           130 
      1   0.182903D+01  0.483395D+01 -0.174483D+01 -0.369324D+00 -0.254473D+01
      2  -0.850320D+01  0.155134D+01 -0.755096D+01 -0.118351D+01 -0.704040D+01
      3   0.667417D+01 -0.638529D+01  0.929579D+01  0.155283D+01  0.958513D+01
      4  -0.584839D+01 -0.100720D+02  0.124882D+02 -0.372093D+00  0.132106D+02
      5  -0.126948D+02  0.454779D+01 -0.357124D+01  0.445150D+01 -0.478492D+01
      6   0.675587D+01 -0.389498D+01  0.630896D+01 -0.134884D+01  0.595050D+01
               131           132           133           134           135 
      1  -0.619928D+01  0.260066D+01 -0.110057D+01  0.346290D+00 -0.627651D+00
      2   0.231565D+02  0.140804D+01 -0.966757D+00  0.403740D+01  0.131678D+01
      3  -0.169573D+02 -0.400871D+01  0.206733D+01 -0.438369D+01 -0.689129D+00
      4  -0.176873D+02  0.530427D+00  0.231382D+01 -0.255333D+01 -0.152060D+01
      5   0.561824D+01 -0.221555D+01  0.248115D+01 -0.863825D+00 -0.126835D+01
      6  -0.130385D+02  0.631592D+01 -0.432893D+00  0.315183D+01  0.113307D+01
               136           137           138           139           140 
      1  -0.198389D+01 -0.370194D+01  0.929831D+01 -0.252345D+01 -0.341631D+01
      2  -0.421218D+01  0.557793D+00  0.553208D+01 -0.409325D+00  0.245360D+01
      3   0.619607D+01  0.314414D+01 -0.148304D+02  0.293277D+01  0.962714D+00
      4   0.639004D+01  0.447140D+01 -0.395714D+01  0.445711D+01  0.712200D+00
      5  -0.125911D+02 -0.282941D+01  0.110541D+02 -0.203055D+01 -0.186204D+01
      6  -0.504362D+01 -0.687798D+01  0.914883D+01 -0.356923D+01 -0.579303D+01
               141           142           143           144           145 
      1   0.469006D+01  0.696109D+01  0.500773D+01 -0.136087D+02  0.972654D+01
      2  -0.941395D+00  0.261751D+01 -0.693991D+00 -0.928287D+01 -0.119886D+02
      3  -0.374867D+01 -0.957860D+01 -0.431373D+01  0.228916D+02  0.226203D+01
      4  -0.222777D+01 -0.354642D+01 -0.191567D+01  0.384883D+01  0.197173D+01
      5   0.292089D+01  0.102259D+02  0.315946D+01 -0.848451D+01  0.159131D+02
      6   0.766991D+01  0.598983D+01  0.800592D+01 -0.108930D+02  0.300209D+01
               146           147           148           149           150 
      1   0.303253D+01  0.253526D+01  0.443295D+01  0.649443D+00 -0.140863D+01
      2  -0.600564D+01 -0.966893D+01 -0.712171D+01 -0.125464D+01 -0.670385D+01
      3   0.297312D+01  0.713367D+01  0.268877D+01  0.605200D+00  0.811248D+01
      4   0.526375D+01  0.662610D+00  0.462023D+01  0.405024D+01  0.203100D+01
      5   0.553207D+01  0.142400D+02  0.912081D+01  0.602633D+01  0.909601D+01
      6   0.578939D+01  0.316884D+01  0.509625D+01  0.757360D+01  0.544954D+01
               151           152           153 
      1   0.261198D+01  0.580984D-02 -0.275220D+01
      2  -0.816922D+01 -0.433408D+01 -0.106913D+02
      3   0.555724D+01  0.432827D+01  0.134435D+02
      4   0.243513D+00  0.129603D+01  0.187897D+01
      5   0.123390D+02  0.571382D+01  0.113740D+02
      6   0.342039D+01  0.537275D+01  0.315341D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:59:21 2022, MaxMem=  5368709120 cpu:            4276.0 elap:             535.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30301 -10.27785 -10.27785 -10.27785 -10.27781
 Alpha  occ. eigenvalues --   -0.92237  -0.78058  -0.78057  -0.78057  -0.62385
 Alpha  occ. eigenvalues --   -0.53470  -0.53470  -0.53469  -0.48389  -0.48388
 Alpha  occ. eigenvalues --   -0.44316  -0.44316  -0.44316  -0.39883  -0.39882
 Alpha  occ. eigenvalues --   -0.39881
 Alpha virt. eigenvalues --    0.03697   0.05149   0.05149   0.05149   0.07188
 Alpha virt. eigenvalues --    0.07189   0.07189   0.07618   0.07618   0.09856
 Alpha virt. eigenvalues --    0.09856   0.09857   0.11313   0.14145   0.14145
 Alpha virt. eigenvalues --    0.14145   0.15744   0.16290   0.16290   0.16290
 Alpha virt. eigenvalues --    0.18390   0.18391   0.18391   0.18535   0.18535
 Alpha virt. eigenvalues --    0.20694   0.20695   0.20695   0.21795   0.21795
 Alpha virt. eigenvalues --    0.21795   0.21999   0.24724   0.24724   0.28961
 Alpha virt. eigenvalues --    0.28961   0.28961   0.31741   0.31742   0.31742
 Alpha virt. eigenvalues --    0.33274   0.33275   0.33275   0.37554   0.37555
 Alpha virt. eigenvalues --    0.37555   0.38626   0.42272   0.42272   0.43793
 Alpha virt. eigenvalues --    0.43794   0.43794   0.44421   0.44421   0.44422
 Alpha virt. eigenvalues --    0.45237   0.45823   0.45823   0.45823   0.50981
 Alpha virt. eigenvalues --    0.50982   0.51704   0.53242   0.53243   0.53243
 Alpha virt. eigenvalues --    0.54152   0.54153   0.54153   0.54996   0.54996
 Alpha virt. eigenvalues --    0.59865   0.60294   0.60294   0.60295   0.62280
 Alpha virt. eigenvalues --    0.62281   0.62281   0.66597   0.66597   0.66598
 Alpha virt. eigenvalues --    0.66996   0.66996   0.66997   0.68497   0.69117
 Alpha virt. eigenvalues --    0.71415   0.71417   0.71417   0.75825   0.75826
 Alpha virt. eigenvalues --    0.75826   0.77890   0.77890   0.84997   0.85000
 Alpha virt. eigenvalues --    0.85000   0.85002   0.85003   0.85006   0.85162
 Alpha virt. eigenvalues --    0.85163   0.87945   0.87945   0.87946   0.91937
 Alpha virt. eigenvalues --    0.91937   0.91938   0.96210   0.99073   0.99074
 Alpha virt. eigenvalues --    0.99075   1.00100   1.00101   1.11748   1.11751
 Alpha virt. eigenvalues --    1.13300   1.13300   1.13301   1.22207   1.24199
 Alpha virt. eigenvalues --    1.24201   1.24201   1.27633   1.27633   1.27633
 Alpha virt. eigenvalues --    1.42597   1.42598   1.42599   1.47321   1.47322
 Alpha virt. eigenvalues --    1.47322   1.55734   1.55734   1.55736   1.63187
 Alpha virt. eigenvalues --    1.63188   1.65593   1.66019   1.66021   1.66021
 Alpha virt. eigenvalues --    1.69286   1.69290   1.76545   1.84536   1.84539
 Alpha virt. eigenvalues --    1.84540   1.88926   1.88927   1.88927   1.90481
 Alpha virt. eigenvalues --    1.90483   1.92487   1.92490   1.92492   1.99809
 Alpha virt. eigenvalues --    1.99810   1.99811   2.10522   2.10522   2.10523
 Alpha virt. eigenvalues --    2.10941   2.12975   2.12977   2.12978   2.15803
 Alpha virt. eigenvalues --    2.15806   2.19174   2.19179   2.19181   2.32809
 Alpha virt. eigenvalues --    2.32811   2.32813   2.34360   2.34364   2.39232
 Alpha virt. eigenvalues --    2.42609   2.42611   2.42611   2.44361   2.44363
 Alpha virt. eigenvalues --    2.44364   2.54402   2.54403   2.63805   2.63857
 Alpha virt. eigenvalues --    2.63859   2.63860   2.70291   2.70292   2.70293
 Alpha virt. eigenvalues --    2.77655   2.77658   2.77659   2.85715   2.85715
 Alpha virt. eigenvalues --    2.85715   3.02192   3.10003   3.10009   3.30371
 Alpha virt. eigenvalues --    3.30375   3.30379
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.842627  -0.458720  -0.458732  -0.458741  -0.458621   0.095606
     2  C   -0.458720   4.863904  -0.094016  -0.094061  -0.093894   0.104399
     3  C   -0.458732  -0.094016   4.863846  -0.093979  -0.093950   0.017279
     4  C   -0.458741  -0.094061  -0.093979   4.863954  -0.093974   0.017319
     5  C   -0.458621  -0.093894  -0.093950  -0.093974   4.863568  -0.032763
     6  H    0.095606   0.104399   0.017279   0.017319  -0.032763   2.021826
     7  H    0.096070   0.104075   0.017255  -0.032812   0.017232  -0.494314
     8  H    0.096130   0.104124  -0.032804   0.017217   0.017242  -0.494310
     9  H    0.095887   0.016843   0.104225   0.017692  -0.032781  -0.066124
    10  H    0.096042  -0.032795   0.104181   0.016841   0.017624   0.021669
    11  H    0.095898   0.017666   0.104183  -0.032801   0.016867   0.007078
    12  H    0.096187   0.017328   0.017163   0.104007  -0.032795  -0.066149
    13  H    0.095713   0.017187  -0.032791   0.104296   0.017379   0.007057
    14  H    0.095866  -0.032798   0.017359   0.104249   0.017163   0.021683
    15  H    0.095806   0.017077   0.017404  -0.032763   0.104321   0.021681
    16  H    0.096058  -0.032792   0.017065   0.017415   0.104120  -0.030436
    17  H    0.096079   0.017429  -0.032777   0.017025   0.104143   0.021691
               7          8          9         10         11         12
     1  C    0.096070   0.096130   0.095887   0.096042   0.095898   0.096187
     2  C    0.104075   0.104124   0.016843  -0.032795   0.017666   0.017328
     3  C    0.017255  -0.032804   0.104225   0.104181   0.104183   0.017163
     4  C   -0.032812   0.017217   0.017692   0.016841  -0.032801   0.104007
     5  C    0.017232   0.017242  -0.032781   0.017624   0.016867  -0.032795
     6  H   -0.494314  -0.494310  -0.066124   0.021669   0.007078  -0.066149
     7  H    2.021676  -0.494208   0.007030   0.021686  -0.066157   0.021681
     8  H   -0.494208   2.021590   0.021673  -0.030434   0.021682   0.007055
     9  H    0.007030   0.021673   2.021804  -0.494290  -0.494323  -0.066161
    10  H    0.021686  -0.030434  -0.494290   2.021711  -0.494252   0.007014
    11  H   -0.066157   0.021682  -0.494323  -0.494252   2.021693   0.021695
    12  H    0.021681   0.007055  -0.066161   0.007014   0.021695   2.021512
    13  H    0.021672  -0.066140   0.021685   0.021676  -0.030435  -0.494313
    14  H   -0.030435   0.021677   0.007075  -0.066130   0.021669  -0.494263
    15  H   -0.066155   0.007026   0.021673   0.007079  -0.066154  -0.030436
    16  H    0.021682   0.021690   0.021693  -0.066168   0.007007   0.021681
    17  H    0.007042  -0.066161  -0.030437   0.021684   0.021688   0.021678
              13         14         15         16         17
     1  C    0.095713   0.095866   0.095806   0.096058   0.096079
     2  C    0.017187  -0.032798   0.017077  -0.032792   0.017429
     3  C   -0.032791   0.017359   0.017404   0.017065  -0.032777
     4  C    0.104296   0.104249  -0.032763   0.017415   0.017025
     5  C    0.017379   0.017163   0.104321   0.104120   0.104143
     6  H    0.007057   0.021683   0.021681  -0.030436   0.021691
     7  H    0.021672  -0.030435  -0.066155   0.021682   0.007042
     8  H   -0.066140   0.021677   0.007026   0.021690  -0.066161
     9  H    0.021685   0.007075   0.021673   0.021693  -0.030437
    10  H    0.021676  -0.066130   0.007079  -0.066168   0.021684
    11  H   -0.030435   0.021669  -0.066154   0.007007   0.021688
    12  H   -0.494313  -0.494263  -0.030436   0.021681   0.021678
    13  H    2.021878  -0.494296   0.021686   0.007065  -0.066163
    14  H   -0.494296   2.021772   0.021690  -0.066169   0.007035
    15  H    0.021686   0.021690   2.022059  -0.494343  -0.494312
    16  H    0.007065  -0.066169  -0.494343   2.021802  -0.494335
    17  H   -0.066163   0.007035  -0.494312  -0.494335   2.021787
 Mulliken charges:
               1
     1  C   -4.159153
     2  C    1.559045
     3  C    1.559091
     4  C    1.559116
     5  C    1.559120
     6  H   -0.173193
     7  H   -0.173020
     8  H   -0.173047
     9  H   -0.173165
    10  H   -0.173138
    11  H   -0.173005
    12  H   -0.172884
    13  H   -0.173154
    14  H   -0.173147
    15  H   -0.173338
    16  H   -0.173033
    17  H   -0.173094
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -4.159153
     2  C    1.039784
     3  C    1.039783
     4  C    1.039932
     5  C    1.039654
 Electronic spatial extent (au):  <R**2>=            484.0918
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.5069   YY=            -35.5068   ZZ=            -35.5067
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0001
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3949  YYY=             -1.1027  ZZZ=             -0.8915  XYY=              1.7754
  XXY=              0.0190  XXZ=              1.4214  XZZ=             -1.3805  YZZ=              1.0834
  YYZ=             -0.5299  XYZ=              1.9028
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -232.4284 YYYY=           -231.4734 ZZZZ=           -231.7623 XXXY=              1.0395
 XXXZ=             -0.9479 YYYX=             -1.1164 YYYZ=              1.2904 ZZZX=              0.5068
 ZZZY=             -1.5876 XXYY=            -76.2192 XXZZ=            -75.9234 YYZZ=            -76.8623
 XXYZ=              0.2968 YYXZ=              0.4413 ZZXY=              0.0769
 N-N= 1.985839790889D+02 E-N=-8.537211271397D+02  KE= 1.962704179569D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:59:22 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290700D-06-2.40208701D-06-2.94381946D-06
 Polarizability= 6.33545600D+01 1.19950013D-04 6.33541331D+01
                 3.32805354D-04-2.65587197D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0028   -0.0023        0.0014    0.0012
 2      0.0028    0.0023       -0.0016   -0.0023       -0.0018   -0.0015
 3     -0.0014   -0.0012       -0.0043   -0.0049        0.0018    0.0023
 4      0.0016    0.0023       -0.0000    0.0000       -0.0014   -0.0012
 5      0.0061    0.0064        0.0014    0.0012       -0.0030   -0.0023
 6     -0.0018   -0.0023        0.0030    0.0023       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0069    0.0069        0.0035    0.0035
 2      0.0068    0.0068       -0.0000    0.0000        0.0035    0.0035
 3      0.0068    0.0068        0.0069    0.0069        0.0000    0.0000
 4      0.0069    0.0069       -0.0068   -0.0068       -0.0046   -0.0046
 5     -0.0035   -0.0035       -0.0147   -0.0147        0.0068    0.0068
 6      0.0193    0.0193        0.0035    0.0035       -0.0069   -0.0069
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0461    0.0000       -0.0838    0.0092       -0.0986   -0.0047
 2     -0.1087   -0.0092       -0.0871    0.0091       -0.0625    0.0061
 3      0.0323    0.0047       -0.0405    0.0196       -0.1752   -0.0091
 4      0.0906   -0.0091        0.0100    0.0000       -0.1445    0.0047
 5     -0.0781   -0.0258        0.3269   -0.0047        0.1183    0.0092
 6      0.1040    0.0091       -0.2306   -0.0092       -0.1860    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0815    0.0000        0.0870   -0.0092        0.0130    0.0026
 2      0.0665    0.0092        0.1104    0.0073        0.0973   -0.0035
 3      0.0335   -0.0026        0.0078   -0.0006       -0.1642   -0.0073
 4      0.1021   -0.0073       -0.0278    0.0000       -0.0792   -0.0026
 5     -0.0282    0.0041        0.0294    0.0026       -0.0060   -0.0092
 6     -0.0107    0.0073       -0.0520    0.0092        0.0856    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.0759    3.0518        1.0006    1.0377        1.9745    1.8750
 2      3.0549    3.0410        1.1190    1.0401        1.9569    1.8750
 3      3.1333    3.0410        1.0098    1.0377        1.9419    1.8681
 4      0.1199   -0.0024        0.1008    0.0108        0.1090    0.0238
 5     -0.0405   -0.0069        0.1005    0.0085       -0.0356   -0.0108
 6     -0.1106   -0.0323       -0.0646    0.0069       -0.0421    0.0024
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9099   -5.0045   -2.3062   -0.0004    0.0003    0.0006
 Low frequencies ---  162.6675  205.5099  229.7027
 Diagonal vibrational polarizability:
        0.7232584       0.7231553       0.7231761
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    162.6664               205.5097               229.7026
 Red. masses --      1.6661                 1.8210                 1.4710
 Frc consts  --      0.0260                 0.0453                 0.0457
 IR Inten    --      0.0000                 0.0000                 0.0001
 RamAct Fr= 1--      0.0001                 0.0014                 0.0150
  Dep-P Fr= 1--      0.7089                 0.7157                 0.7500
  Dep-U Fr= 1--      0.8297                 0.8343                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0002                 0.0021
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0001                -0.0005                 0.0024
 Delta2 Fr= 1--     -0.0007                 0.0014                -0.0050
 Raman1 Fr= 1--       0.001                  0.006                  0.060
 ROA1   Fr= 1--      -0.007                 -0.001                  0.072
 CID1   Fr= 1--     -11.212                 -0.243                  1.196
 Raman2 Fr= 1--       0.000                  0.002                  0.026
 ROA2   Fr= 1--       0.009                 -0.023                  0.097
 CID2   Fr= 1--      36.187                 -9.788                  3.797
 Raman3 Fr= 1--       0.000                  0.005                  0.051
 ROA3   Fr= 1--      -0.007                 -0.001                  0.072
 CID3   Fr= 1--     -13.515                 -0.291                  1.396
 RC180  Fr= 1--       0.659                  0.669                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.00    -0.01  -0.01   0.00     0.01  -0.01   0.00
     2   6    -0.02   0.02  -0.02    -0.01   0.03   0.01    -0.00  -0.01  -0.02
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.02    -0.01   0.01   0.01
     4   6    -0.00  -0.00   0.02    -0.02  -0.02   0.03     0.05   0.01   0.01
     5   6     0.03   0.00  -0.01     0.01  -0.02  -0.01    -0.00  -0.03  -0.00
     6   1    -0.01   0.22   0.09    -0.03  -0.09  -0.04    -0.08  -0.45  -0.22
     7   1    -0.15  -0.00  -0.21     0.10   0.06   0.11     0.30   0.05   0.36
     8   1     0.10  -0.16   0.05    -0.10   0.15  -0.02    -0.25   0.40  -0.21
     9   1     0.27  -0.15  -0.19     0.28  -0.13  -0.21     0.04  -0.01  -0.02
    10   1    -0.19   0.30  -0.11    -0.18   0.26  -0.16    -0.05   0.10   0.00
    11   1    -0.10  -0.15   0.35    -0.07  -0.13   0.28    -0.06  -0.03   0.08
    12   1    -0.19  -0.10   0.05     0.04   0.03   0.03     0.15   0.09   0.00
    13   1     0.05   0.08  -0.17    -0.06  -0.06   0.12     0.04  -0.06   0.11
    14   1     0.13   0.01   0.18    -0.07  -0.06  -0.04    -0.03   0.02  -0.08
    15   1     0.28   0.16  -0.06    -0.34  -0.22   0.01     0.17   0.08  -0.04
    16   1     0.01  -0.28  -0.13     0.07   0.34   0.18    -0.04  -0.23  -0.12
    17   1    -0.19   0.12   0.14     0.33  -0.19  -0.24    -0.17   0.03   0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    265.8201               301.2204               303.2228
 Red. masses --      1.0676                 2.5625                 2.4883
 Frc consts  --      0.0444                 0.1370                 0.1348
 IR Inten    --      0.0000                 0.0001                 0.0019
 RamAct Fr= 1--      0.0019                 0.9365                 0.9626
  Dep-P Fr= 1--      0.6833                 0.7498                 0.7495
  Dep-U Fr= 1--      0.8118                 0.8570                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0003                 0.1338                 0.1375
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0001                -0.0012                 0.0025
 Delta2 Fr= 1--     -0.0006                 0.0012                 0.0044
 Raman1 Fr= 1--       0.007                  3.746                  3.850
 ROA1   Fr= 1--      -0.007                 -0.082                  0.380
 CID1   Fr= 1--      -0.925                 -0.022                  0.099
 Raman2 Fr= 1--       0.003                  1.605                  1.649
 ROA2   Fr= 1--       0.008                 -0.039                  0.025
 CID2   Fr= 1--       2.528                 -0.024                  0.015
 Raman3 Fr= 1--       0.006                  3.210                  3.299
 ROA3   Fr= 1--      -0.007                 -0.082                  0.380
 CID3   Fr= 1--      -1.139                 -0.025                  0.115
 RC180  Fr= 1--       0.624                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01   0.03  -0.03     0.00  -0.02  -0.01
     2   6    -0.01   0.00  -0.02     0.03   0.15   0.05     0.11  -0.03   0.12
     3   6    -0.01  -0.01   0.02    -0.01  -0.07   0.13    -0.11   0.08   0.02
     4   6    -0.01   0.00  -0.00     0.04   0.08  -0.13    -0.12  -0.06  -0.10
     5   6     0.02   0.02  -0.01    -0.05  -0.13  -0.08     0.14   0.00  -0.05
     6   1    -0.01   0.13   0.05     0.06   0.28   0.10     0.27  -0.08   0.03
     7   1    -0.10  -0.02  -0.13     0.10   0.23  -0.06     0.19  -0.03   0.27
     8   1     0.07  -0.11   0.02    -0.04   0.12   0.20    -0.00   0.00   0.24
     9   1     0.01  -0.05  -0.00    -0.17  -0.24   0.11    -0.13   0.19   0.08
    10   1    -0.01   0.03   0.03     0.10  -0.01   0.30    -0.11   0.21   0.08
    11   1    -0.02  -0.03   0.07    -0.00  -0.10   0.24    -0.31   0.00  -0.07
    12   1     0.46   0.28  -0.06     0.10  -0.00  -0.20    -0.14  -0.19  -0.17
    13   1    -0.15  -0.22   0.48     0.07   0.10  -0.20    -0.24   0.07  -0.12
    14   1    -0.34  -0.06  -0.43     0.01   0.20  -0.13    -0.14  -0.12  -0.15
    15   1     0.09   0.06  -0.02    -0.20  -0.17  -0.22     0.24   0.09  -0.14
    16   1     0.03  -0.06  -0.02    -0.10  -0.12  -0.13     0.27  -0.13   0.05
    17   1    -0.03   0.06   0.01     0.05  -0.32   0.01     0.12   0.08  -0.13
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.6837               380.0738               390.1220
 Red. masses --      2.4535                 2.4394                 2.2662
 Frc consts  --      0.2051                 0.2076                 0.2032
 IR Inten    --      0.0497                 0.0541                 0.0367
 RamAct Fr= 1--      0.2183                 0.2111                 0.2720
  Dep-P Fr= 1--      0.7478                 0.7500                 0.7435
  Dep-U Fr= 1--      0.8557                 0.8571                 0.8529
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0311                 0.0302                 0.0387
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0061                 0.0017                -0.0049
 Delta2 Fr= 1--     -0.0010                -0.0008                -0.0073
 Raman1 Fr= 1--       0.873                  0.845                  1.088
 ROA1   Fr= 1--      -0.616                  0.137                 -0.706
 CID1   Fr= 1--      -0.706                  0.162                 -0.649
 Raman2 Fr= 1--       0.374                  0.362                  0.464
 ROA2   Fr= 1--      -0.137                  0.047                 -0.059
 CID2   Fr= 1--      -0.368                  0.130                 -0.128
 Raman3 Fr= 1--       0.747                  0.724                  0.928
 ROA3   Fr= 1--      -0.616                  0.137                 -0.706
 CID3   Fr= 1--      -0.825                  0.189                 -0.761
 RC180  Fr= 1--       0.711                  0.714                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14   0.02  -0.05    -0.01  -0.09  -0.12     0.05  -0.12   0.07
     2   6     0.10   0.03  -0.12     0.06   0.08   0.02    -0.09   0.10  -0.03
     3   6     0.02   0.07   0.07    -0.10  -0.09  -0.04    -0.02   0.02  -0.02
     4   6    -0.08  -0.14   0.02     0.13  -0.09   0.07     0.07  -0.06  -0.13
     5   6    -0.07  -0.00   0.03    -0.04   0.10  -0.02     0.04  -0.05   0.15
     6   1     0.02   0.02  -0.10     0.16   0.19   0.05    -0.34   0.24   0.15
     7   1     0.06   0.02  -0.17     0.22   0.19  -0.02    -0.03   0.23  -0.33
     8   1     0.17   0.03  -0.22    -0.11   0.09   0.26    -0.11   0.12  -0.04
     9   1    -0.07   0.09   0.12    -0.19  -0.12  -0.02     0.09   0.25   0.04
    10   1     0.10   0.26   0.23    -0.05   0.01   0.07    -0.10   0.08  -0.10
    11   1    -0.17  -0.02   0.06    -0.21  -0.15  -0.03    -0.17  -0.01  -0.17
    12   1    -0.21  -0.16   0.07     0.09   0.11   0.20     0.20  -0.20  -0.27
    13   1    -0.28  -0.01   0.12     0.28  -0.25   0.09     0.06  -0.01  -0.20
    14   1    -0.04  -0.43  -0.01     0.20  -0.09   0.15    -0.01   0.11  -0.18
    15   1    -0.18  -0.10   0.18     0.06   0.09   0.24     0.05  -0.07   0.26
    16   1    -0.27   0.17  -0.14    -0.07   0.23  -0.02     0.01   0.02   0.15
    17   1    -0.09  -0.10   0.17    -0.15   0.31  -0.13     0.00   0.01   0.13
                     10                     11                     12
                      A                      A                      A
 Frequencies --    678.3809               746.3914               783.9661
 Red. masses --      3.3653                 2.4109                 2.4783
 Frc consts  --      0.9125                 0.7913                 0.8974
 IR Inten    --      0.0497                 0.0773                 0.1236
 RamAct Fr= 1--     14.7892                 0.6392                 1.3056
  Dep-P Fr= 1--      0.0054                 0.4415                 0.6531
  Dep-U Fr= 1--      0.0107                 0.6126                 0.7902
 Alpha2 Fr= 1--      0.3245                 0.0041                 0.0023
 Beta2  Fr= 1--      0.0265                 0.0653                 0.1719
 AlphaG Fr= 1--     -0.0001                 0.0001                -0.0000
 Gamma2 Fr= 1--      0.0355                 0.1552                -0.1453
 Delta2 Fr= 1--      0.0392                 0.1862                -0.1808
 Raman1 Fr= 1--      59.157                  2.557                  5.222
 ROA1   Fr= 1--       4.662                 20.857                -19.733
 CID1   Fr= 1--       0.079                  8.157                 -3.778
 Raman2 Fr= 1--       0.318                  0.783                  2.063
 ROA2   Fr= 1--       0.538                  2.235                 -2.040
 CID2   Fr= 1--       1.694                  2.854                 -0.989
 Raman3 Fr= 1--       0.635                  1.566                  4.127
 ROA3   Fr= 1--       4.662                 20.857                -19.733
 CID3   Fr= 1--       7.338                 13.317                 -4.782
 RC180  Fr= 1--      -0.979                  0.225                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.03  -0.01   0.00    -0.01   0.02  -0.01
     2   6     0.17   0.08  -0.08     0.02   0.02   0.03     0.06  -0.00  -0.10
     3   6    -0.14  -0.12  -0.11     0.04   0.11  -0.07    -0.15   0.12   0.07
     4   6    -0.08   0.15   0.04     0.02  -0.05  -0.01     0.05  -0.08  -0.03
     5   6     0.05  -0.04   0.17    -0.11  -0.09   0.04     0.02  -0.02   0.05
     6   1     0.14   0.02  -0.10    -0.16  -0.03   0.08     0.17   0.10  -0.09
     7   1     0.10   0.04  -0.09    -0.06   0.01  -0.07     0.19   0.07  -0.09
     8   1     0.31   0.07  -0.28     0.16   0.06  -0.23    -0.12   0.01   0.15
     9   1    -0.25  -0.25  -0.14    -0.23  -0.21  -0.12    -0.04  -0.15  -0.13
    10   1    -0.15  -0.16  -0.13     0.26   0.19   0.23    -0.24  -0.33  -0.20
    11   1    -0.23  -0.18  -0.12     0.13   0.08   0.17     0.45   0.39   0.27
    12   1    -0.09   0.17   0.07     0.03  -0.08  -0.03    -0.01  -0.17  -0.05
    13   1    -0.08   0.14   0.05     0.03  -0.03  -0.04    -0.11   0.05   0.02
    14   1    -0.07   0.14   0.06     0.01  -0.01  -0.01     0.04  -0.24  -0.09
    15   1     0.04  -0.03   0.10     0.11   0.03   0.05     0.03  -0.03   0.10
    16   1     0.14  -0.14   0.25     0.23  -0.18   0.42     0.02  -0.00   0.06
    17   1     0.11  -0.15   0.24    -0.13   0.25  -0.38    -0.01  -0.01   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    800.9850               830.7417               855.6644
 Red. masses --      2.8015                 2.4785                 2.1627
 Frc consts  --      1.0590                 1.0078                 0.9329
 IR Inten    --      0.4303                 0.2797                 0.3405
 RamAct Fr= 1--      3.2945                 4.0636                 2.9242
  Dep-P Fr= 1--      0.7499                 0.4155                 0.3105
  Dep-U Fr= 1--      0.8571                 0.5870                 0.4739
 Alpha2 Fr= 1--      0.0000                 0.0285                 0.0291
 Beta2  Fr= 1--      0.4706                 0.3976                 0.2310
 AlphaG Fr= 1--      0.0000                -0.0001                 0.0001
 Gamma2 Fr= 1--     -0.0327                -0.2188                -0.0294
 Delta2 Fr= 1--     -0.0528                -0.2752                -0.0513
 Raman1 Fr= 1--      13.178                 16.254                 11.697
 ROA1   Fr= 1--      -4.831                -29.813                 -4.468
 CID1   Fr= 1--      -0.367                 -1.834                 -0.382
 Raman2 Fr= 1--       5.647                  4.771                  2.771
 ROA2   Fr= 1--      -0.363                 -3.050                 -0.296
 CID2   Fr= 1--      -0.064                 -0.639                 -0.107
 Raman3 Fr= 1--      11.294                  9.542                  5.543
 ROA3   Fr= 1--      -4.831                -29.813                 -4.468
 CID3   Fr= 1--      -0.428                 -3.124                 -0.806
 RC180  Fr= 1--       0.714                  0.174                 -0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.09     0.03   0.05   0.09    -0.06   0.07  -0.03
     2   6    -0.14  -0.06   0.01    -0.04   0.06   0.17    -0.00   0.03   0.01
     3   6     0.03   0.07  -0.15    -0.09   0.01  -0.06     0.01  -0.02   0.02
     4   6     0.01   0.01  -0.02     0.07  -0.11  -0.00     0.06  -0.13  -0.08
     5   6     0.12   0.01   0.10     0.06   0.06  -0.07    -0.09   0.16   0.05
     6   1     0.00  -0.02  -0.02    -0.20  -0.15   0.12     0.03  -0.01  -0.02
     7   1    -0.09  -0.06   0.12    -0.30  -0.10   0.19    -0.07  -0.03   0.05
     8   1    -0.30  -0.10   0.30     0.34   0.03  -0.35     0.07   0.00  -0.06
     9   1    -0.32  -0.30  -0.20    -0.21  -0.23  -0.13     0.04   0.08   0.05
    10   1     0.28   0.24   0.21    -0.07  -0.11  -0.08    -0.02   0.02  -0.01
    11   1     0.01  -0.00   0.06     0.00   0.03   0.04    -0.02  -0.01  -0.03
    12   1    -0.07   0.07   0.06     0.16  -0.31  -0.16    -0.03   0.13   0.12
    13   1    -0.03  -0.00   0.04    -0.01   0.03  -0.08     0.22  -0.35   0.01
    14   1     0.06  -0.14  -0.01    -0.01  -0.02  -0.08     0.19  -0.23   0.05
    15   1     0.02  -0.06   0.15    -0.03   0.01  -0.05    -0.19   0.23  -0.44
    16   1    -0.02   0.05  -0.04    -0.16   0.17  -0.30     0.17  -0.31   0.20
    17   1     0.12  -0.21   0.39     0.03  -0.03   0.08     0.22  -0.28   0.18
                     16                     17                     18
                      A                      A                      A
 Frequencies --    927.6658              1000.9948              1008.2404
 Red. masses --      1.5646                 1.7215                 1.8158
 Frc consts  --      0.7933                 1.0163                 1.0876
 IR Inten    --      0.2498                 0.2057                 0.0718
 RamAct Fr= 1--      2.2937                 1.6442                 2.6480
  Dep-P Fr= 1--      0.7032                 0.6733                 0.7470
  Dep-U Fr= 1--      0.8258                 0.8048                 0.8552
 Alpha2 Fr= 1--      0.0019                 0.0022                 0.0001
 Beta2  Fr= 1--      0.3157                 0.2205                 0.3774
 AlphaG Fr= 1--      0.0000                 0.0001                 0.0000
 Gamma2 Fr= 1--      0.3733                -0.1502                 0.0880
 Delta2 Fr= 1--      0.5408                -0.1672                 0.1266
 Raman1 Fr= 1--       9.175                  6.577                 10.592
 ROA1   Fr= 1--      53.143                -19.766                 12.499
 CID1   Fr= 1--       5.792                 -3.005                  1.180
 Raman2 Fr= 1--       3.788                  2.646                  4.529
 ROA2   Fr= 1--       4.633                 -2.267                  1.099
 CID2   Fr= 1--       1.223                 -0.857                  0.243
 Raman3 Fr= 1--       7.576                  5.293                  9.059
 ROA3   Fr= 1--      53.143                -19.766                 12.499
 CID3   Fr= 1--       7.014                 -3.734                  1.380
 RC180  Fr= 1--       0.652                  0.610                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.01  -0.03    -0.05  -0.09  -0.03    -0.02  -0.05   0.10
     2   6    -0.02   0.10  -0.05     0.07  -0.07   0.08     0.07  -0.05  -0.09
     3   6     0.01   0.01   0.01    -0.04   0.03  -0.01     0.02   0.03  -0.05
     4   6    -0.05  -0.07   0.00    -0.10   0.02  -0.05    -0.03  -0.05   0.12
     5   6     0.06  -0.06   0.02     0.06   0.02  -0.00    -0.04   0.11  -0.02
     6   1     0.38  -0.08  -0.31    -0.28   0.07   0.29     0.02   0.08  -0.00
     7   1    -0.15  -0.11   0.35     0.16   0.12  -0.36     0.20   0.06  -0.18
     8   1     0.16  -0.11  -0.01     0.04   0.15  -0.18    -0.12   0.02   0.10
     9   1     0.05   0.10   0.04     0.01   0.06  -0.01    -0.10  -0.07  -0.05
    10   1     0.03   0.08   0.06     0.03   0.05   0.08     0.09   0.06   0.05
    11   1     0.09   0.05   0.05     0.20   0.12   0.12    -0.01  -0.01   0.03
    12   1     0.18   0.03  -0.05    -0.07   0.39   0.15     0.33  -0.39  -0.24
    13   1     0.30  -0.29  -0.17     0.25  -0.34  -0.03     0.04   0.09  -0.19
    14   1    -0.09   0.39   0.10     0.03   0.19   0.17    -0.26   0.50  -0.00
    15   1     0.05  -0.10   0.18     0.01  -0.02   0.03    -0.10   0.12  -0.20
    16   1    -0.02   0.10  -0.00    -0.07   0.06  -0.15    -0.03  -0.10  -0.08
    17   1    -0.05   0.01   0.10     0.07  -0.06   0.09     0.13  -0.09   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1075.4540              1078.2113              1084.3416
 Red. masses --      2.2156                 2.1733                 2.2941
 Frc consts  --      1.5098                 1.4886                 1.5893
 IR Inten    --      2.2968                 4.0829                 5.1619
 RamAct Fr= 1--      1.6966                 1.4360                 0.8242
  Dep-P Fr= 1--      0.7351                 0.7499                 0.7359
  Dep-U Fr= 1--      0.8473                 0.8571                 0.8479
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0002
 Beta2  Fr= 1--      0.2396                 0.2051                 0.1165
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0432                -0.0486                 0.1404
 Delta2 Fr= 1--     -0.0869                -0.0374                 0.1791
 Raman1 Fr= 1--       6.786                  5.744                  3.297
 ROA1   Fr= 1--      -6.930                 -5.866                 19.205
 CID1   Fr= 1--      -1.021                 -1.021                  5.826
 Raman2 Fr= 1--       2.875                  2.462                  1.398
 ROA2   Fr= 1--      -0.342                 -0.868                  1.936
 CID2   Fr= 1--      -0.119                 -0.353                  1.385
 Raman3 Fr= 1--       5.750                  4.923                  2.795
 ROA3   Fr= 1--      -6.930                 -5.866                 19.205
 CID3   Fr= 1--      -1.205                 -1.192                  6.871
 RC180  Fr= 1--       0.695                  0.714                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.00   0.00   0.01    -0.02   0.01  -0.01
     2   6     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.01  -0.02   0.02
     3   6    -0.11   0.04  -0.02     0.05   0.04  -0.11    -0.00  -0.12  -0.04
     4   6     0.01   0.00   0.02     0.00   0.00  -0.01     0.03   0.01   0.04
     5   6    -0.01   0.01  -0.09     0.00  -0.00  -0.00    -0.01  -0.00  -0.13
     6   1    -0.02   0.01   0.03     0.00  -0.01  -0.01    -0.07   0.01   0.06
     7   1     0.00   0.01  -0.03    -0.02  -0.01  -0.00     0.03   0.02  -0.07
     8   1     0.01   0.02  -0.03    -0.01  -0.00   0.01     0.00   0.03  -0.03
     9   1     0.49   0.07  -0.27    -0.24   0.41   0.21    -0.20   0.19   0.21
    10   1     0.33  -0.33   0.38     0.11  -0.37  -0.18    -0.16   0.38  -0.06
    11   1    -0.19  -0.02   0.02    -0.14  -0.29   0.65     0.35   0.04   0.04
    12   1     0.02  -0.10  -0.04    -0.02   0.03   0.02     0.04  -0.17  -0.07
    13   1    -0.04   0.08  -0.01    -0.00  -0.00   0.00    -0.11   0.17   0.00
    14   1    -0.04   0.00  -0.04     0.02  -0.04  -0.01    -0.04  -0.03  -0.07
    15   1    -0.00  -0.00  -0.03     0.02   0.00   0.01     0.01  -0.01  -0.02
    16   1     0.20   0.16   0.20     0.01   0.02   0.01     0.28   0.24   0.29
    17   1    -0.18  -0.08   0.28    -0.01  -0.01   0.02    -0.28  -0.10   0.38
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1094.9366              1206.4778              1231.1469
 Red. masses --      2.4582                 3.4036                 2.4592
 Frc consts  --      1.7364                 2.9190                 2.1962
 IR Inten    --      1.0658                 4.3415                 4.6018
 RamAct Fr= 1--      1.8529                 9.9560                 9.1762
  Dep-P Fr= 1--      0.1247                 0.7102                 0.7494
  Dep-U Fr= 1--      0.2218                 0.8306                 0.8567
 Alpha2 Fr= 1--      0.0305                 0.0069                 0.0001
 Beta2  Fr= 1--      0.0685                 1.3782                 1.3103
 AlphaG Fr= 1--     -0.0001                -0.0002                 0.0000
 Gamma2 Fr= 1--     -0.0254                -0.5134                 0.5404
 Delta2 Fr= 1--     -0.1798                -0.2720                 0.1809
 Raman1 Fr= 1--       7.412                 39.824                 36.705
 ROA1   Fr= 1--      -8.190                -57.993                 57.661
 CID1   Fr= 1--      -1.105                 -1.456                  1.571
 Raman2 Fr= 1--       0.822                 16.538                 15.723
 ROA2   Fr= 1--       0.829                -10.146                 11.522
 CID2   Fr= 1--       1.009                 -0.613                  0.733
 Raman3 Fr= 1--       1.644                 33.076                 31.446
 ROA3   Fr= 1--      -8.190                -57.993                 57.661
 CID3   Fr= 1--      -4.983                 -1.753                  1.834
 RC180  Fr= 1--      -0.556                  0.661                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05  -0.03    -0.17   0.21   0.22     0.09  -0.15   0.22
     2   6    -0.03   0.04   0.01     0.08  -0.07  -0.07    -0.04   0.09  -0.08
     3   6    -0.14  -0.13  -0.10    -0.02  -0.08  -0.07    -0.03   0.01  -0.05
     4   6     0.06   0.05   0.03     0.05  -0.06  -0.08    -0.03   0.04  -0.08
     5   6    -0.00   0.04   0.09     0.09  -0.12   0.06    -0.02   0.03  -0.05
     6   1     0.12  -0.02  -0.09     0.17   0.25   0.05    -0.14  -0.29  -0.21
     7   1    -0.01   0.01   0.11     0.04  -0.03  -0.22     0.31   0.16   0.25
     8   1     0.09  -0.04  -0.05    -0.17   0.15   0.01     0.16  -0.30   0.18
     9   1     0.19   0.36   0.00     0.04   0.07  -0.03    -0.08  -0.06  -0.07
    10   1     0.11   0.19   0.33     0.10   0.12   0.16     0.03   0.05   0.05
    11   1     0.35   0.05   0.14    -0.02  -0.09  -0.06     0.08   0.04   0.03
    12   1    -0.06  -0.13  -0.02    -0.08   0.04   0.05    -0.18   0.30   0.15
    13   1    -0.23   0.28   0.08     0.04  -0.16   0.08     0.00  -0.14   0.14
    14   1    -0.01  -0.15  -0.10     0.15  -0.23   0.00     0.15  -0.10   0.11
    15   1    -0.00   0.03   0.08    -0.06  -0.02  -0.49    -0.10   0.07  -0.34
    16   1    -0.17  -0.22  -0.20    -0.17   0.25  -0.11     0.02   0.10   0.01
    17   1     0.25   0.00  -0.21    -0.14   0.23  -0.07    -0.10   0.03   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1234.7577              1316.0450              1325.3317
 Red. masses --      3.0210                 1.5407                 1.2524
 Frc consts  --      2.7138                 1.5722                 1.2961
 IR Inten    --      2.6109                 6.4210                 5.4672
 RamAct Fr= 1--      9.2206                 2.6376                 2.0333
  Dep-P Fr= 1--      0.7100                 0.7479                 0.7437
  Dep-U Fr= 1--      0.8304                 0.8558                 0.8530
 Alpha2 Fr= 1--      0.0064                 0.0001                 0.0002
 Beta2  Fr= 1--      1.2761                 0.3762                 0.2891
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0957                 0.5341                -0.2071
 Delta2 Fr= 1--     -0.0668                 0.5383                -0.2036
 Raman1 Fr= 1--      36.882                 10.550                  8.133
 ROA1   Fr= 1--     -11.330                 68.503                -26.398
 CID1   Fr= 1--      -0.307                  6.493                 -3.246
 Raman2 Fr= 1--      15.314                  4.514                  3.469
 ROA2   Fr= 1--      -1.763                  8.513                 -3.342
 CID2   Fr= 1--      -0.115                  1.886                 -0.963
 Raman3 Fr= 1--      30.627                  9.029                  6.937
 ROA3   Fr= 1--     -11.330                 68.503                -26.398
 CID3   Fr= 1--      -0.370                  7.587                 -3.805
 RC180  Fr= 1--       0.661                  0.712                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.29   0.19  -0.00     0.06   0.03  -0.09     0.00  -0.01   0.03
     2   6     0.01  -0.02  -0.02    -0.12  -0.04   0.05    -0.01  -0.00  -0.00
     3   6    -0.13  -0.09  -0.04    -0.01  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.11  -0.07  -0.00    -0.02  -0.01   0.04     0.00   0.01  -0.01
     5   6    -0.05  -0.04   0.01     0.01  -0.04   0.07    -0.08  -0.03  -0.01
     6   1    -0.31  -0.09   0.09     0.26   0.12  -0.01     0.14   0.07  -0.02
     7   1    -0.29  -0.20   0.07     0.55   0.36  -0.03    -0.04  -0.02  -0.01
     8   1    -0.18   0.02   0.21     0.12  -0.14  -0.17    -0.02   0.03  -0.03
     9   1     0.05   0.13  -0.02     0.01   0.02   0.01    -0.01  -0.01  -0.00
    10   1    -0.07  -0.02   0.07    -0.02  -0.03  -0.02     0.00   0.01   0.00
    11   1     0.14   0.01   0.05     0.00   0.00   0.02    -0.00   0.00  -0.01
    12   1     0.23   0.20  -0.00     0.10  -0.02  -0.03    -0.04  -0.01   0.00
    13   1     0.24  -0.25  -0.19     0.05   0.03  -0.12     0.01  -0.04   0.04
    14   1    -0.03   0.36   0.20    -0.08   0.08  -0.02     0.02  -0.02   0.00
    15   1     0.08   0.04  -0.02    -0.01   0.13  -0.55     0.78   0.44   0.03
    16   1     0.02  -0.02   0.10    -0.06   0.12   0.05    -0.10   0.22   0.03
    17   1    -0.04   0.06  -0.13    -0.05   0.08   0.00     0.16  -0.25  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1327.8905              1339.9689              1412.9414
 Red. masses --      1.4743                 1.3530                 1.2428
 Frc consts  --      1.5316                 1.4314                 1.4619
 IR Inten    --      2.9455                 3.3347                 5.0891
 RamAct Fr= 1--      3.9629                 3.5437                 0.4178
  Dep-P Fr= 1--      0.6922                 0.7449                 0.5361
  Dep-U Fr= 1--      0.8181                 0.8538                 0.6980
 Alpha2 Fr= 1--      0.0040                 0.0003                 0.0017
 Beta2  Fr= 1--      0.5403                 0.5043                 0.0486
 AlphaG Fr= 1--      0.0001                -0.0001                -0.0001
 Gamma2 Fr= 1--     -0.9716                 0.5318                 0.0619
 Delta2 Fr= 1--     -0.5394                 0.3033                 0.0354
 Raman1 Fr= 1--      15.852                 14.175                  1.671
 ROA1   Fr= 1--    -110.535                 60.762                  7.080
 CID1   Fr= 1--      -6.973                  4.287                  4.237
 Raman2 Fr= 1--       6.484                  6.051                  0.583
 ROA2   Fr= 1--     -19.003                 10.337                  1.203
 CID2   Fr= 1--      -2.931                  1.708                  2.063
 Raman3 Fr= 1--      12.968                 12.102                  1.166
 ROA3   Fr= 1--    -110.535                 60.762                  7.080
 CID3   Fr= 1--      -8.523                  5.021                  6.070
 RC180  Fr= 1--       0.636                  0.708                  0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01   0.10    -0.06   0.13   0.01    -0.01   0.02   0.01
     2   6    -0.08  -0.06   0.01    -0.01  -0.01  -0.01    -0.01  -0.01  -0.00
     3   6    -0.01  -0.01  -0.02     0.00  -0.02  -0.00     0.01   0.00   0.00
     4   6    -0.03   0.01  -0.03    -0.00  -0.01   0.00     0.07  -0.12  -0.04
     5   6    -0.02   0.04  -0.07    -0.01  -0.00  -0.04    -0.00   0.00  -0.01
     6   1     0.62   0.43  -0.01    -0.37  -0.20   0.04    -0.02   0.07   0.05
     7   1     0.13   0.07   0.02     0.53   0.30  -0.02     0.11   0.04   0.06
     8   1    -0.06   0.09  -0.21     0.13  -0.22   0.07     0.02  -0.02  -0.03
     9   1    -0.03  -0.02  -0.02     0.03   0.02   0.00     0.00  -0.01   0.00
    10   1     0.00   0.01   0.01     0.01  -0.00   0.02     0.00  -0.00  -0.01
    11   1     0.01  -0.00   0.00    -0.04  -0.03  -0.02    -0.02  -0.01  -0.01
    12   1     0.03   0.05  -0.02     0.07  -0.09  -0.07    -0.20   0.39   0.35
    13   1     0.07  -0.13   0.04     0.11  -0.09  -0.05    -0.43   0.34   0.04
    14   1     0.09  -0.06   0.09     0.02  -0.11  -0.01    -0.10   0.55  -0.00
    15   1    -0.10  -0.16   0.45     0.14  -0.07   0.50     0.03  -0.01   0.11
    16   1     0.10  -0.15  -0.00     0.02  -0.08  -0.03     0.01  -0.02  -0.00
    17   1    -0.01  -0.03  -0.02     0.07  -0.07  -0.04     0.01  -0.02  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.5385              1498.4142              1501.1335
 Red. masses --      1.0758                 1.0529                 1.0589
 Frc consts  --      1.3762                 1.3929                 1.4058
 IR Inten    --      2.7233                 4.8296                 6.8871
 RamAct Fr= 1--      3.8444                 3.5966                 1.9238
  Dep-P Fr= 1--      0.7494                 0.7498                 0.7494
  Dep-U Fr= 1--      0.8567                 0.8570                 0.8567
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.5489                 0.5137                 0.2747
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0106                 0.0174                 0.0071
 Delta2 Fr= 1--      0.0118                -0.0112                -0.0271
 Raman1 Fr= 1--      15.378                 14.386                  7.695
 ROA1   Fr= 1--      -0.641                  1.317                 -0.184
 CID1   Fr= 1--      -0.042                  0.092                 -0.024
 Raman2 Fr= 1--       6.587                  6.165                  3.296
 ROA2   Fr= 1--      -0.348                  0.508                  0.388
 CID2   Fr= 1--      -0.053                  0.082                  0.118
 Raman3 Fr= 1--      13.175                 12.329                  6.593
 ROA3   Fr= 1--      -0.641                  1.317                 -0.184
 CID3   Fr= 1--      -0.049                  0.107                 -0.028
 RC180  Fr= 1--       0.713                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.01   0.02  -0.03    -0.03  -0.01  -0.02
     2   6     0.01  -0.02  -0.06    -0.01  -0.00   0.01     0.01  -0.00  -0.02
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.02   0.01     0.02   0.02  -0.04    -0.04  -0.01  -0.02
     5   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     6   1    -0.27   0.49   0.34    -0.02  -0.03  -0.00    -0.12   0.16   0.12
     7   1     0.12  -0.16   0.63     0.03   0.03  -0.02     0.05  -0.05   0.22
     8   1     0.02  -0.01  -0.06     0.00  -0.01   0.00     0.02  -0.01  -0.03
     9   1    -0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.01  -0.00  -0.00
    11   1     0.01   0.00   0.01    -0.00  -0.00   0.01    -0.01  -0.00  -0.00
    12   1    -0.19  -0.08   0.04    -0.29  -0.44  -0.15     0.52   0.08  -0.22
    13   1     0.14  -0.09  -0.03    -0.12  -0.32   0.61    -0.31   0.18   0.13
    14   1    -0.14  -0.02  -0.18     0.09   0.40   0.19     0.41  -0.07   0.49
    15   1     0.00   0.01  -0.04    -0.02  -0.01  -0.02     0.02   0.02  -0.04
    16   1    -0.01   0.01   0.00     0.00  -0.00   0.01    -0.01   0.02   0.00
    17   1     0.00   0.00   0.00    -0.00   0.01   0.00     0.01  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9602              2206.8759              2245.0276
 Red. masses --      2.1312                 2.1899                 2.2671
 Frc consts  --      5.9125                 6.2840                 6.7324
 IR Inten    --     15.7796                13.5968                14.6448
 RamAct Fr= 1--     68.1244                70.0569                59.0799
  Dep-P Fr= 1--      0.0024                 0.0551                 0.1702
  Dep-U Fr= 1--      0.0048                 0.1044                 0.2910
 Alpha2 Fr= 1--      1.5054                 1.3672                 0.8672
 Beta2  Fr= 1--      0.0542                 1.2192                 2.8650
 AlphaG Fr= 1--     -0.0003                -0.0000                 0.0003
 Gamma2 Fr= 1--     -0.0377                 0.3647                -0.5332
 Delta2 Fr= 1--     -0.0357                 0.3506                -0.4988
 Raman1 Fr= 1--     272.498                280.228                236.319
 ROA1   Fr= 1--      -4.765                 46.226                -67.154
 CID1   Fr= 1--      -0.017                  0.165                 -0.284
 Raman2 Fr= 1--       0.650                 14.631                 34.380
 ROA2   Fr= 1--      -0.620                  5.947                 -8.807
 CID2   Fr= 1--      -0.953                  0.406                 -0.256
 Raman3 Fr= 1--       1.301                 29.261                 68.759
 ROA3   Fr= 1--      -4.765                 46.226                -67.154
 CID3   Fr= 1--      -3.664                  1.580                 -0.977
 RC180  Fr= 1--      -0.990                 -0.791                 -0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.11  -0.10  -0.06
     3   6    -0.07  -0.07  -0.05    -0.00  -0.01  -0.00     0.00   0.00   0.01
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.01    -0.01   0.04   0.13     0.00   0.00  -0.01
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.03  -0.07
     7   1    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.07  -0.02
     8   1     0.01   0.01   0.01     0.03   0.03   0.02     0.64   0.60   0.43
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02    -0.01   0.01  -0.02
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.02     0.01   0.00  -0.01
    11   1    -0.26   0.49   0.15    -0.02   0.04   0.01     0.01  -0.02  -0.01
    12   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.00   0.00
    13   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
    15   1     0.00  -0.01  -0.00    -0.05   0.09   0.03     0.00  -0.00  -0.00
    16   1    -0.03  -0.01   0.03     0.52   0.15  -0.44    -0.03  -0.01   0.03
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.2458              2284.5071              2285.8465
 Red. masses --      2.3739                 2.3768                 2.3789
 Frc consts  --      7.2915                 7.3086                 7.3235
 IR Inten    --      8.1905                15.9417                24.5538
 RamAct Fr= 1--     17.8564                34.8643                52.4324
  Dep-P Fr= 1--      0.7462                 0.7488                 0.7500
  Dep-U Fr= 1--      0.8546                 0.8564                 0.8571
 Alpha2 Fr= 1--      0.0012                 0.0007                 0.0000
 Beta2  Fr= 1--      2.5435                 4.9762                 7.4903
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      1.3842                -0.1638                -1.0806
 Delta2 Fr= 1--      1.2784                -0.1555                -0.9965
 Raman1 Fr= 1--      71.426                139.457                209.730
 ROA1   Fr= 1--     173.791                -20.702               -135.629
 CID1   Fr= 1--       2.433                 -0.148                 -0.647
 Raman2 Fr= 1--      30.522                 59.714                 89.884
 ROA2   Fr= 1--      22.993                 -2.687                -17.964
 CID2   Fr= 1--       0.753                 -0.045                 -0.200
 Raman3 Fr= 1--      61.044                119.428                179.768
 ROA3   Fr= 1--     173.791                -20.702               -135.629
 CID3   Fr= 1--       2.847                 -0.173                 -0.754
 RC180  Fr= 1--       0.709                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.04  -0.05   0.12     0.13  -0.14  -0.01    -0.04  -0.04   0.12
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6     0.11   0.07  -0.01    -0.00  -0.00  -0.00    -0.12  -0.07   0.01
     6   1     0.00  -0.00   0.01     0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
     8   1    -0.02  -0.02  -0.01     0.01   0.01   0.01    -0.00   0.00  -0.00
     9   1    -0.17   0.20  -0.38    -0.17   0.20  -0.38    -0.17   0.20  -0.38
    10   1     0.39   0.11  -0.31    -0.25  -0.08   0.21     0.39   0.11  -0.31
    11   1     0.02  -0.04  -0.01    -0.36   0.68   0.21     0.02  -0.05  -0.01
    12   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
    16   1    -0.37  -0.10   0.31    -0.00  -0.00   0.00     0.36   0.10  -0.31
    17   1    -0.32  -0.30  -0.23     0.00   0.01   0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2567              3043.9004              3064.4796
 Red. masses --      1.0344                 1.0604                 1.0829
 Frc consts  --      5.5631                 5.7887                 5.9916
 IR Inten    --     34.4409                25.1851                27.8602
 RamAct Fr= 1--    137.4648               127.3106               111.8780
  Dep-P Fr= 1--      0.0013                 0.0642                 0.1798
  Dep-U Fr= 1--      0.0026                 0.1207                 0.3048
 Alpha2 Fr= 1--      3.0455                 2.4306                 1.6020
 Beta2  Fr= 1--      0.0596                 2.5617                 5.6840
 AlphaG Fr= 1--     -0.0001                -0.0003                -0.0004
 Gamma2 Fr= 1--     -0.0841                 1.5851                -3.2516
 Delta2 Fr= 1--     -0.0782                 1.4815                -3.0195
 Raman1 Fr= 1--     549.859                509.242                447.512
 ROA1   Fr= 1--     -10.574                199.574               -408.781
 CID1   Fr= 1--      -0.019                  0.392                 -0.913
 Raman2 Fr= 1--       0.716                 30.740                 68.208
 ROA2   Fr= 1--      -1.392                 26.190                -53.884
 CID2   Fr= 1--      -1.945                  0.852                 -0.790
 Raman3 Fr= 1--       1.432                 61.481                136.416
 ROA3   Fr= 1--     -10.574                199.574               -408.781
 CID3   Fr= 1--      -7.387                  3.246                 -2.997
 RC180  Fr= 1--      -0.995                 -0.759                 -0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01     0.01  -0.03  -0.06    -0.00   0.00  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.04  -0.07  -0.02
     6   1    -0.02   0.03  -0.05     0.24  -0.32   0.56     0.05  -0.06   0.11
     7   1     0.03  -0.05  -0.01    -0.34   0.59   0.17    -0.01   0.01   0.00
     8   1    -0.00  -0.00  -0.00     0.02   0.01   0.01     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   1     0.21  -0.25   0.47     0.01  -0.01   0.03    -0.01   0.01  -0.02
    13   1    -0.37  -0.35  -0.26    -0.05  -0.05  -0.03    -0.03  -0.03  -0.02
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03     0.03   0.01  -0.03
    15   1     0.01  -0.02  -0.01     0.05  -0.09  -0.03    -0.47   0.83   0.23
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.9008              3083.6193              3085.2309
 Red. masses --      1.1021                 1.1017                 1.1014
 Frc consts  --      6.1675                 6.1721                 6.1769
 IR Inten    --     19.0512                34.0437                55.0940
 RamAct Fr= 1--     38.0249                64.6231                97.6067
  Dep-P Fr= 1--      0.7227                 0.7477                 0.7499
  Dep-U Fr= 1--      0.8390                 0.8556                 0.8571
 Alpha2 Fr= 1--      0.0179                 0.0025                 0.0002
 Beta2  Fr= 1--      5.3173                 9.2156                13.9428
 AlphaG Fr= 1--     -0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      9.4155                -1.5614                -6.0610
 Delta2 Fr= 1--      8.7576                -1.4567                -5.6391
 Raman1 Fr= 1--     152.100                258.493                390.427
 ROA1   Fr= 1--    1184.134               -196.512               -762.310
 CID1   Fr= 1--       7.785                 -0.760                 -1.953
 Raman2 Fr= 1--      63.808                110.588                167.313
 ROA2   Fr= 1--     155.913                -25.821               -100.353
 CID2   Fr= 1--       2.443                 -0.233                 -0.600
 Raman3 Fr= 1--     127.616                221.175                334.627
 ROA3   Fr= 1--    1184.134               -196.512               -762.310
 CID3   Fr= 1--       9.279                 -0.888                 -2.278
 RC180  Fr= 1--       0.678                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.03  -0.05   0.02    -0.00   0.00  -0.00    -0.03   0.05  -0.02
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.01   0.02  -0.06    -0.08  -0.04  -0.00    -0.00   0.02  -0.06
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   1    -0.17   0.21  -0.41     0.01  -0.02   0.03     0.17  -0.22   0.42
     7   1    -0.25   0.43   0.15     0.00  -0.00  -0.00     0.22  -0.39  -0.13
     8   1     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.20  -0.25   0.45     0.03  -0.07   0.11     0.22  -0.26   0.47
    13   1     0.14   0.14   0.09     0.47   0.47   0.35     0.12   0.13   0.07
    14   1    -0.27  -0.07   0.20     0.47   0.12  -0.40    -0.30  -0.07   0.23
    15   1    -0.05   0.09   0.02    -0.00   0.01   0.00     0.01  -0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   2.01410
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   447.12025 473.20299 499.08896
           X            0.74292  -0.26193  -0.61601
           Y            0.45907  -0.47037   0.75366
           Z            0.48716   0.84270   0.22920
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19372     0.18304     0.17354
 Rotational constants (GHZ):           4.03637     3.81388     3.61607
 Zero-point vibrational energy     366682.3 (Joules/Mol)
                                   87.63917 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    234.04   295.68   330.49   382.46   433.39
          (Kelvin)            436.27   541.96   546.84   561.30   976.04
                             1073.89  1127.95  1152.44  1195.25  1231.11
                             1334.70  1440.21  1450.63  1547.34  1551.31
                             1560.13  1575.37  1735.85  1771.35  1776.54
                             1893.50  1906.86  1910.54  1927.92  2032.91
                             2120.09  2155.88  2159.80  3122.09  3175.20
                             3230.09  3285.08  3286.90  3288.82  4346.91
                             4379.49  4409.10  4434.17  4436.64  4438.96
 
 Zero-point correction=                           0.139662 (Hartree/Particle)
 Thermal correction to Energy=                    0.147313
 Thermal correction to Enthalpy=                  0.148258
 Thermal correction to Gibbs Free Energy=         0.109602
 Sum of electronic and zero-point Energies=           -197.732195
 Sum of electronic and thermal Energies=              -197.724544
 Sum of electronic and thermal Enthalpies=            -197.723599
 Sum of electronic and thermal Free Energies=         -197.762255
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.041             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.160
 Vibrational             90.663             23.079             16.215
 Vibration     1          0.623              1.888              2.519
 Vibration     2          0.640              1.832              2.083
 Vibration     3          0.652              1.796              1.881
 Vibration     4          0.672              1.736              1.623
 Vibration     5          0.693              1.671              1.410
 Vibration     6          0.695              1.668              1.399
 Vibration     7          0.747              1.520              1.052
 Vibration     8          0.750              1.513              1.039
 Vibration     9          0.758              1.491              1.000
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385918D-50        -50.413505       -116.081384
 Total V=0       0.670591D+14         13.826458         31.836595
 Vib (Bot)       0.122217D-62        -62.912869       -144.862234
 Vib (Bot)    1  0.124179D+01          0.094050          0.216558
 Vib (Bot)    2  0.968178D+00         -0.014045         -0.032339
 Vib (Bot)    3  0.857560D+00         -0.066735         -0.153664
 Vib (Bot)    4  0.728577D+00         -0.137525         -0.316662
 Vib (Bot)    5  0.630919D+00         -0.200026         -0.460578
 Vib (Bot)    6  0.626042D+00         -0.203397         -0.468338
 Vib (Bot)    7  0.481102D+00         -0.317763         -0.731675
 Vib (Bot)    8  0.475687D+00         -0.322679         -0.742996
 Vib (Bot)    9  0.460151D+00         -0.337099         -0.776200
 Vib (V=0)       0.212370D+02          1.327093          3.055746
 Vib (V=0)    1  0.183868D+01          0.264505          0.609046
 Vib (V=0)    2  0.158966D+01          0.201305          0.463523
 Vib (V=0)    3  0.149268D+01          0.173966          0.400572
 Vib (V=0)    4  0.138364D+01          0.141024          0.324720
 Vib (V=0)    5  0.130502D+01          0.115618          0.266219
 Vib (V=0)    6  0.130120D+01          0.114346          0.263290
 Vib (V=0)    7  0.119387D+01          0.076958          0.177202
 Vib (V=0)    8  0.119013D+01          0.075594          0.174062
 Vib (V=0)    9  0.117951D+01          0.071703          0.165102
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116324D+06          5.065670         11.664137
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 11111  111 1111 11                                         
   000000                            2222 21                          544 43333  222 0000 00  9  8887 7  6         333 33 222 1      
   888642                            8884 07                          097 14221  330 9877 00  2  5308 4  7         987 00 630 6      
   542441                            6535 70                          184 30856  516 5485 81  8  6114 6  8         007 31 606 3      
 
   XXXXXX                            XXXX XX                          XXX XXXXX  XXX XXXX XX  X  XXXX X             X                
   XXXXXX                            XXXX XX                          XX  X  XX   XX  X                                              
   XXXXXX                            XXXX XX                          X                                                              
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX    X                                                                                         
   XXXXXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX X X                                                                                                                            
   XX   X                                                                                                                            
   XX   X                                                                                                                            
   X    X                                                                                                                            
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.666948D+02  0.236819D-02  0.459123D-02
      2   0.236819D-02  0.666918D+02  0.457507D-02
      3   0.459123D-02  0.457507D-02  0.667046D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.498498D-03 -0.775470D-02 -0.588021D-02
      2   0.512963D-02  0.127804D-02  0.984258D-02
      3  -0.337770D-02 -0.257091D-02 -0.770889D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.376819D+00  0.176266D-01  0.135261D+01
      2   0.172847D+01 -0.106387D+01 -0.491460D+00
      3  -0.135165D+01  0.104625D+01 -0.861151D+00
      4   0.206161D-01  0.174710D+01  0.183600D+01
      5   0.136367D+01  0.183857D+01 -0.132212D+01
      6   0.184533D+01 -0.487273D+00  0.104681D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106575D+01  0.637128D-01  0.404394D+01  0.869195D-01  0.510857D+01
      2   0.637128D-01  0.509317D+01  0.540504D+01  0.510857D+01 -0.311879D+01
      3   0.404394D+01  0.540504D+01 -0.392927D+01  0.542048D+01 -0.149001D+01
                 6             7             8             9            10 
      1   0.542048D+01  0.399393D+01  0.544267D+01 -0.401466D+01 -0.651143D+00
      2  -0.149001D+01  0.544267D+01 -0.152802D+01  0.306682D+01 -0.565017D-01
      3   0.311678D+01 -0.401466D+01  0.306682D+01 -0.259667D+01 -0.275675D+01
                11            12            13            14            15 
      1  -0.565017D-01 -0.275675D+01  0.199276D+00 -0.466817D+01 -0.404731D+01
      2  -0.365309D+01 -0.406102D+01 -0.466817D+01  0.149283D+01  0.194386D+01
      3  -0.406102D+01  0.339008D+01 -0.404731D+01  0.194386D+01 -0.201539D+01
                16            17            18            19            20 
      1  -0.362993D+01 -0.403695D+01  0.239392D+01  0.222706D+01  0.257465D+00
      2  -0.403695D+01  0.107816D+01 -0.226205D+01  0.257465D+00 -0.410905D+01
      3   0.239392D+01 -0.226205D+01  0.322028D+01 -0.262104D+01 -0.428543D+01
                21            22            23            24            25 
      1  -0.262104D+01 -0.589610D+00 -0.320330D+01 -0.428654D+01 -0.318454D+01
      2  -0.428543D+01 -0.320330D+01  0.363907D+01  0.129852D+01 -0.423739D+01
      3   0.258211D+01 -0.428654D+01  0.129852D+01 -0.238165D+01  0.346544D+01
                26            27            28            29            30 
      1  -0.423739D+01  0.346544D+01  0.208130D+01 -0.880994D+00 -0.307209D+01
      2   0.669492D+00 -0.150352D+01 -0.880994D+00 -0.433158D+01 -0.406206D+01
      3  -0.150352D+01  0.307093D+01 -0.307209D+01 -0.406206D+01  0.282328D+01
                31            32            33            34            35 
      1   0.254201D+00 -0.370245D+01 -0.406800D+01 -0.267407D+01 -0.407090D+01
      2  -0.370245D+01  0.928855D+00  0.112364D+01 -0.407090D+01  0.150339D+01
      3  -0.406800D+01  0.112364D+01 -0.220783D+01  0.344354D+01 -0.331095D+01
                36            37            38            39            40 
      1   0.344354D+01 -0.344495D+00  0.495081D+00 -0.384654D+01 -0.118179D+00
      2  -0.331095D+01  0.495081D+00 -0.348815D+01 -0.413914D+01 -0.396253D+01
      3   0.101180D+01 -0.384654D+01 -0.413914D+01  0.332255D+01 -0.416337D+01
                41            42            43            44            45 
      1  -0.396253D+01 -0.416337D+01 -0.266693D+01 -0.412972D+01  0.288226D+01
      2   0.343218D+01  0.181807D+00 -0.412972D+01  0.129476D+01 -0.224874D+01
      3   0.181807D+00 -0.288495D+01  0.288226D+01 -0.224874D+01  0.551984D+00
                46            47            48            49            50 
      1  -0.694570D+00  0.434123D+00 -0.618879D+00  0.722998D+00  0.271220D+00
      2   0.434123D+00 -0.546543D+00  0.103917D+01  0.271220D+00  0.183587D+01
      3  -0.618879D+00  0.103917D+01 -0.226861D+01  0.372219D+00 -0.207368D+01
                51            52            53            54            55 
      1   0.372219D+00 -0.106165D+01  0.411297D+00 -0.363651D+00  0.319858D+01
      2  -0.207368D+01  0.411297D+00 -0.207359D+01  0.252493D+01 -0.178324D+01
      3   0.282621D+01 -0.363651D+00  0.252493D+01 -0.705317D+01 -0.102862D+01
                56            57            58            59            60 
      1  -0.178324D+01 -0.102862D+01 -0.328453D+01  0.282607D+01  0.176352D+01
      2   0.214833D+01  0.104011D+01  0.282607D+01 -0.446971D+01 -0.172754D+01
      3   0.104011D+01  0.880003D+00  0.176352D+01 -0.172754D+01 -0.193105D+01
                61            62            63            64            65 
      1  -0.689295D+00  0.955903D+00  0.897702D+00  0.494515D+01  0.239194D+01
      2   0.955903D+00 -0.110833D+01 -0.876253D+00  0.239194D+01  0.245363D+01
      3   0.897702D+00 -0.876253D+00 -0.169668D+01  0.817986D+00  0.722884D+00
                66            67            68            69            70 
      1   0.817986D+00  0.309804D+01  0.281994D+01  0.669452D+00  0.248303D+01
      2   0.722884D+00  0.281994D+01  0.309163D+01  0.365589D+00  0.142639D+01
      3   0.846139D+00  0.669452D+00  0.365589D+00  0.122839D+01  0.779757D+00
                71            72            73            74            75 
      1   0.142639D+01  0.779757D+00 -0.228753D+01  0.290429D+00 -0.160424D+01
      2   0.132031D+01  0.963656D+00  0.290429D+00 -0.283955D+00  0.650619D+00
      3   0.963656D+00  0.883943D+00 -0.160424D+01  0.650619D+00 -0.223844D+01
                76            77            78            79            80 
      1   0.137012D+01 -0.327473D+00  0.140607D+01 -0.219333D+01  0.583664D+00
      2  -0.327473D+00  0.813189D+00 -0.116551D+01  0.583664D+00 -0.145300D+01
      3   0.140607D+01 -0.116551D+01  0.242820D+01 -0.290965D+01  0.876793D+00
                81            82            83            84            85 
      1  -0.290965D+01 -0.609844D+01 -0.191713D+01  0.190606D+01 -0.120222D+01
      2   0.876793D+00 -0.191713D+01 -0.139600D+01  0.853715D+00 -0.104331D+01
      3  -0.639555D+01  0.190606D+01  0.853715D+00 -0.195077D+01  0.778420D+00
                86            87            88            89            90 
      1  -0.104331D+01  0.778420D+00  0.355472D+01  0.152659D+01 -0.205317D+01
      2  -0.153188D+01  0.445568D+00  0.152659D+01  0.138267D+01 -0.622483D+00
      3   0.445568D+00 -0.324958D+00 -0.205317D+01 -0.622483D+00  0.188148D+01
                91            92            93            94            95 
      1   0.103990D+01 -0.119812D+01 -0.216209D+00 -0.144532D+01  0.115519D+01
      2  -0.119812D+01  0.309517D+01  0.122996D+01  0.115519D+01 -0.740970D+01
      3  -0.216209D+00  0.122996D+01  0.816477D+00  0.550480D+00 -0.215081D+01
                96            97            98            99           100 
      1   0.550480D+00 -0.180416D+00  0.582386D+00 -0.481090D-02 -0.201773D+01
      2  -0.215081D+01  0.582386D+00 -0.165654D+01 -0.132249D+01  0.139821D+01
      3  -0.160719D+01 -0.481090D-02 -0.132249D+01 -0.149361D+01 -0.948672D+00
               101           102           103           104           105 
      1   0.139821D+01 -0.948672D+00  0.112894D+01 -0.101039D+01  0.106620D+01
      2  -0.109239D+01  0.112081D+01 -0.101039D+01  0.299919D+01 -0.172492D+01
      3   0.112081D+01 -0.153863D+01  0.106620D+01 -0.172492D+01  0.183796D+01
               106           107           108           109           110 
      1  -0.189305D+01  0.181009D+01 -0.192044D+01  0.207486D+01  0.176076D+01
      2   0.181009D+01 -0.336898D+01  0.255380D+01  0.176076D+01  0.365130D+01
      3  -0.192044D+01  0.255380D+01 -0.409985D+01  0.127052D+01  0.166288D+01
               111           112           113           114           115 
      1   0.127052D+01  0.146375D+01  0.173458D+01  0.984962D+00  0.126293D+01
      2   0.166288D+01  0.173458D+01  0.478377D+01  0.177125D+01  0.102741D+01
      3   0.138971D+01  0.984962D+00  0.177125D+01  0.176688D+01  0.566041D+00
               116           117           118           119           120 
      1   0.102741D+01  0.566041D+00 -0.548586D+01  0.604697D+00  0.296312D+01
      2   0.221925D+01  0.205068D+01  0.604697D+00 -0.965228D+00  0.289303D-01
      3   0.205068D+01  0.200579D+01  0.296312D+01  0.289303D-01 -0.282503D+01
               121           122           123           124           125 
      1  -0.920143D+00 -0.317228D+00  0.768913D+00  0.324994D+01 -0.472019D-01
      2  -0.317228D+00 -0.309657D+00  0.400345D+00 -0.472019D-01  0.968251D+00
      3   0.768913D+00  0.400345D+00 -0.459900D+00 -0.277981D+01  0.614430D+00
               126           127           128           129           130 
      1  -0.277981D+01  0.241697D+01 -0.212481D+01  0.479057D+00 -0.240188D+01
      2   0.614430D+00 -0.212481D+01  0.290762D+01  0.154963D+00  0.300060D+01
      3   0.326497D+01  0.479057D+00  0.154963D+00  0.522330D+00  0.886921D-01
               131           132           133           134           135 
      1   0.300060D+01  0.886921D-01 -0.462600D+00  0.851911D+00  0.178205D+00
      2  -0.667938D+01  0.373670D+00  0.851911D+00 -0.130138D+01 -0.526301D+00
      3   0.373670D+00 -0.120442D+01  0.178205D+00 -0.526301D+00 -0.411311D+00
               136           137           138           139           140 
      1  -0.316791D+01 -0.962397D+00  0.262738D+01 -0.662014D+00 -0.409517D+00
      2  -0.962397D+00 -0.122877D+01  0.153025D+01 -0.409517D+00 -0.133409D+01
      3   0.262738D+01  0.153025D+01 -0.413056D+01  0.848298D+00  0.113201D+01
               141           142           143           144           145 
      1   0.848298D+00  0.210760D+01  0.888389D+00 -0.218852D+01  0.382961D+01
      2   0.113201D+01  0.888389D+00  0.110457D+01 -0.114759D+01  0.122677D+01
      3  -0.881809D+00 -0.218852D+01 -0.114759D+01  0.479240D+01  0.260497D+01
               146           147           148           149           150 
      1   0.122677D+01  0.260497D+01  0.229967D+01  0.172820D+01  0.184751D+01
      2   0.174553D+01  0.110833D+01  0.172820D+01  0.183661D+01  0.129620D+01
      3   0.110833D+01  0.230863D+01  0.184751D+01  0.129620D+01  0.269473D+01
               151           152           153 
      1   0.198367D+01  0.101545D+01  0.162785D+01
      2   0.101545D+01  0.948972D+00  0.116927D+01
      3   0.162785D+01  0.116927D+01  0.306326D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107136D-01  0.343633D-02  0.333578D-02  0.128726D-01 -0.853846D-02
      2  -0.800793D-02  0.476242D-02  0.466656D+01 -0.725529D-03 -0.108347D-02
      3  -0.304253D-01 -0.467744D+01 -0.148934D-01  0.466328D+01 -0.202118D-01
                 6             7             8             9            10 
      1  -0.467145D+01  0.180733D-01  0.464416D+01 -0.758298D-02  0.111338D+01
      2   0.352163D-02 -0.464359D+01 -0.797731D-02  0.944426D-02 -0.649911D+01
      3  -0.136610D-01  0.387770D-02 -0.338064D-02 -0.924012D-02 -0.862186D+00
                11            12            13            14            15 
      1   0.643223D+01  0.351227D+01  0.794463D+01 -0.180987D+01 -0.399136D+01
      2  -0.587246D+01  0.315547D+01 -0.548323D+01 -0.256418D+01 -0.749686D+01
      3   0.412099D+01  0.476106D+01  0.942276D+01 -0.309309D+01 -0.538432D+01
                16            17            18            19            20 
      1   0.402316D+01  0.772894D+00  0.707498D+00 -0.308740D+01 -0.191086D+01
      2  -0.328383D+01 -0.795737D+01  0.904668D+01  0.605819D+01  0.584651D+01
      3   0.431501D+01 -0.380244D+01  0.393801D+01 -0.387288D+01 -0.691517D+01
                21            22            23            24            25 
      1   0.700760D+01 -0.288327D+01 -0.270616D+01 -0.517637D+01  0.827603D+01
      2  -0.364746D+01  0.492375D+01 -0.409493D+01 -0.141727D+01 -0.896725D+01
      3  -0.276046D+01 -0.949447D+00  0.945023D+01  0.697661D+01 -0.182827D+01
                26            27            28            29            30 
      1   0.118600D+00  0.579513D+01  0.425481D+01  0.440688D+01 -0.680085D+01
      2  -0.272997D+01 -0.201574D+01  0.113425D+01  0.436592D+01  0.418913D+00
      3   0.595493D+01 -0.553975D+01  0.413166D+01 -0.811997D+01 -0.862120D+01
                31            32            33            34            35 
      1   0.479461D+01 -0.220136D+01  0.329612D+01 -0.806906D+01  0.911177D+01
      2   0.368423D+01  0.726439D+00  0.439547D+01 -0.386047D+01  0.565383D+01
      3  -0.177307D+01 -0.657429D+01 -0.552337D+01 -0.783011D+01 -0.510005D+01
                36            37            38            39            40 
      1  -0.208070D+01 -0.228036D+01 -0.891015D+01 -0.372721D+01 -0.984145D+01
      2  -0.187062D+01 -0.701165D+00 -0.434257D+01  0.109650D+02 -0.316926D+01
      3   0.241794D+01  0.626105D+00 -0.551087D-01  0.662290D+01  0.430716D+01
                41            42            43            44            45 
      1   0.676653D+01 -0.504746D+01 -0.420498D+01  0.114792D+01 -0.446149D+01
      2   0.593067D+01  0.453516D+01  0.494747D+01  0.502932D+01 -0.517922D+01
      3   0.196351D+00  0.391058D+01  0.539529D+01  0.291884D+01 -0.827424D+00
                46            47            48            49            50 
      1  -0.299758D+00  0.920030D+00  0.117457D+00 -0.401560D+00 -0.218979D+01
      2  -0.265797D+01  0.166747D+01 -0.221305D+01  0.278164D+01 -0.232318D+01
      3  -0.136009D+01 -0.780149D-01 -0.137434D+01  0.145950D+01 -0.191788D+01
                51            52            53            54            55 
      1  -0.217927D+00 -0.414148D+00  0.415904D+01  0.747301D+00  0.242050D+01
      2   0.435140D+01 -0.517020D+01  0.412878D+01 -0.957160D+01  0.247852D+01
      3   0.270537D+01 -0.228383D+01  0.282432D+01 -0.372370D+01  0.255075D+01
                56            57            58            59            60 
      1  -0.374998D+01 -0.710655D+00 -0.340458D+01  0.668990D+01 -0.537579D-01
      2  -0.508985D+00  0.170465D+01 -0.203908D+01  0.895781D+00 -0.197379D+01
      3  -0.564774D+01 -0.189620D+01 -0.225448D+01  0.871666D+01  0.251582D+01
                61            62            63            64            65 
      1  -0.152101D+01  0.279545D+01  0.904530D+00 -0.309024D+01 -0.287766D+01
      2  -0.882334D+00  0.109186D+00 -0.158225D+01  0.600095D+01  0.397554D+01
      3  -0.136173D+01  0.264710D+01  0.142464D+01 -0.379076D+00 -0.477889D+01
                66            67            68            69            70 
      1  -0.250403D+01 -0.317738D+01 -0.295998D+01 -0.300119D+01 -0.160563D+01
      2   0.462932D+01  0.407335D+01  0.365244D+01  0.419671D+01  0.211875D+01
      3  -0.896681D+00 -0.694961D+00 -0.415384D+01 -0.455103D+00 -0.157381D+00
                71            72            73            74            75 
      1  -0.766003D+00 -0.220731D+01 -0.195213D+01  0.200608D+01 -0.321762D+01
      2   0.272296D+01  0.310448D+01 -0.838727D+00 -0.633929D+00  0.290443D+01
      3  -0.205247D+01 -0.112648D+01  0.233987D+01 -0.203746D+01  0.257323D+01
                76            77            78            79            80 
      1   0.136615D+01 -0.305225D+01  0.233773D+01 -0.354652D+01  0.543651D+01
      2   0.574406D+00  0.120528D+01 -0.208730D+01 -0.117352D+01 -0.869976D+00
      3  -0.417351D+00  0.195051D+01 -0.256338D+01  0.258371D+01 -0.382576D+01
                81            82            83            84            85 
      1  -0.719105D+01  0.381221D+01  0.115737D+01 -0.399625D+01  0.171879D+01
      2   0.594949D+01 -0.615861D+01 -0.243643D+01  0.693864D+01 -0.200934D+01
      3   0.442485D+01  0.506670D+01 -0.205704D+01 -0.136379D+01  0.150084D+01
                86            87            88            89            90 
      1   0.120259D+01 -0.176353D+01 -0.316862D+01  0.484242D-01  0.323431D+01
      2  -0.122322D+01  0.170364D+01  0.342698D+01  0.146990D+01 -0.535476D+01
      3  -0.110853D+01 -0.512233D+00 -0.261431D+01  0.134969D+01  0.170584D+01
                91            92            93            94            95 
      1   0.828753D+00 -0.143822D+01  0.101135D+01 -0.534261D+00  0.429840D+01
      2   0.161648D+01 -0.206247D+01  0.200484D+00 -0.291862D+01  0.359486D+01
      3  -0.388499D+01  0.330063D+01  0.123690D+01  0.656499D+01 -0.922417D+01
                96            97            98            99           100 
      1  -0.291033D+01 -0.546456D+00  0.119543D+01 -0.118765D+01  0.189541D+01
      2   0.171082D+01 -0.121935D+01  0.182574D+01  0.126647D+01  0.816314D+00
      3  -0.305117D+01  0.167899D+01 -0.277518D+01 -0.129923D+01 -0.225576D+01
               101           102           103           104           105 
      1  -0.173128D+01  0.390118D+01 -0.231214D+01  0.301638D+01 -0.560438D+01
      2  -0.152947D+01  0.312483D+01 -0.743411D+00  0.198051D+01 -0.294070D+01
      3  -0.243789D+00 -0.348771D+00  0.251020D+01  0.140505D+01  0.344221D+00
               106           107           108           109           110 
      1   0.340466D+01 -0.249814D+01  0.895752D+01 -0.123942D+01 -0.594308D-02
      2   0.952981D-01 -0.258077D+01  0.545211D+01 -0.292630D+01 -0.193409D+01
      3  -0.255328D+01 -0.105449D+01 -0.826412D+00  0.616040D+01  0.345994D+01
               111           112           113           114           115 
      1  -0.255849D+01 -0.926073D+00  0.167857D+00 -0.410261D+01 -0.432239D+00
      2  -0.177874D+00 -0.259904D+01 -0.238797D+01 -0.131925D+01 -0.253963D+01
      3   0.316905D+01  0.635328D+01  0.580464D+01  0.330414D+01  0.418486D+01
               116           117           118           119           120 
      1  -0.508220D+00 -0.279059D+01 -0.437185D+01 -0.213177D+01  0.467459D+01
      2  -0.198080D+01 -0.117649D+01  0.116668D+01 -0.376645D+00  0.351788D+01
      3   0.301502D+01  0.242926D+01 -0.763614D+01 -0.287715D+01  0.473548D+01
               121           122           123           124           125 
      1  -0.973024D+00 -0.119051D+01 -0.101619D+00  0.410618D+01  0.178992D+01
      2   0.800382D-01 -0.226472D+00  0.336437D+00 -0.973470D+00 -0.411839D+00
      3  -0.398900D+00 -0.132346D+01  0.119963D+01  0.524445D+01  0.251025D+01
               126           127           128           129           130 
      1  -0.442878D+01 -0.263827D+01  0.481245D+01  0.205711D+01  0.458504D+01
      2  -0.268870D+01 -0.288680D+01  0.313192D+01  0.134201D+01  0.370107D+01
      3  -0.371036D+01 -0.158195D+01 -0.179843D+01 -0.510869D+00  0.268148D+01
               131           132           133           134           135 
      1  -0.943160D+01 -0.390274D+01  0.103932D+01 -0.109541D+01 -0.185405D+01
      2  -0.438416D+01 -0.246015D+01 -0.227945D+00 -0.128232D+01 -0.986997D+00
      3   0.303207D+01 -0.211150D+00  0.315648D+00  0.399705D+00  0.248021D+00
               136           137           138           139           140 
      1   0.709334D+00 -0.205570D+01 -0.149781D+01  0.245730D+00 -0.144152D+01
      2   0.818890D+01  0.200124D+01 -0.397242D+01  0.226172D+01  0.110119D+01
      3   0.384616D+01 -0.561137D+00 -0.270966D+01  0.178137D+01  0.595160D+00
               141           142           143           144           145 
      1  -0.311395D+00 -0.429867D+00  0.283354D+01  0.243327D+01  0.391431D+01
      2  -0.179863D+01 -0.727659D+01 -0.214842D+01  0.529886D+01 -0.478083D+01
      3  -0.132881D+01 -0.311097D+01 -0.481070D+00  0.258359D+01 -0.285954D+01
               146           147           148           149           150 
      1   0.507309D+01  0.272803D+01  0.378314D+01  0.484827D+01  0.186542D+01
      2  -0.129467D+01 -0.200546D+00 -0.311751D+01 -0.188198D+01  0.260787D+00
      3  -0.438498D+01 -0.260359D+01 -0.140408D+01 -0.373381D+01 -0.191019D+01
               151           152           153 
      1   0.307250D+01  0.416489D+01  0.343148D+01
      2  -0.372290D+01 -0.971643D+00  0.295845D+00
      3  -0.198194D+01 -0.252501D+01 -0.210957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.405469D+01 -0.323072D+01  0.293969D+01 -0.326392D+01 -0.151058D+01
      2  -0.159653D+01  0.346984D+01 -0.144497D+01  0.347846D+01  0.962980D+00
      3  -0.245816D+01 -0.239122D+00 -0.149472D+01 -0.214544D+00  0.547603D+00
      4  -0.334474D+01 -0.326154D+01 -0.980789D+00 -0.328799D+01  0.351864D+01
      5   0.302546D+01 -0.942779D+00 -0.415027D+01 -0.937547D+00 -0.142009D+01
      6  -0.973315D+00 -0.137812D+01 -0.327129D+00 -0.142578D+01 -0.415329D+01
                 6             7             8             9            10 
      1  -0.960204D+00  0.304284D+01 -0.920042D+00 -0.244832D+01 -0.513528D+01
      2  -0.414159D+01 -0.138958D+01 -0.418686D+01  0.608117D+00 -0.440840D+01
      3   0.510179D+01 -0.165326D+01  0.510690D+01  0.184020D+01  0.954368D+01
      4  -0.144450D+01 -0.951921D+00 -0.133991D+01 -0.189526D+00 -0.128771D+01
      5  -0.181302D+00 -0.424119D+01 -0.182449D+00 -0.158507D+01 -0.645934D+01
      6  -0.119358D+01 -0.186499D+00 -0.118964D+01  0.509514D+01 -0.439887D+01
                11            12            13            14            15 
      1  -0.434418D+01 -0.232353D+01 -0.463545D+01 -0.852161D+01 -0.145618D+02
      2  -0.650683D+01  0.383882D+01 -0.530256D+01  0.540864D+01  0.158014D+01
      3   0.108510D+02 -0.151529D+01  0.993801D+01  0.311297D+01  0.129817D+02
      4  -0.127643D+02 -0.103107D+02 -0.137310D+02  0.260790D+01  0.170196D+01
      5  -0.895070D+01  0.668898D+01 -0.983374D+01  0.674491D+01  0.316536D+01
      6   0.437899D+01  0.901466D+01  0.486113D+01 -0.400891D+01 -0.695612D+01
                16            17            18            19            20 
      1  -0.270622D+01 -0.147357D+02  0.142773D+02 -0.846007D+01 -0.923603D+01
      2   0.326719D+01  0.240500D+01 -0.179950D+01  0.260586D+01  0.666361D+01
      3  -0.560970D+00  0.123307D+02 -0.124778D+02  0.585422D+01  0.257242D+01
      4  -0.114937D+02  0.508089D+00 -0.846513D+00 -0.366379D+01  0.208425D+01
      5   0.697374D+01  0.247561D+01 -0.158070D+01  0.573909D+01  0.760523D+01
      6   0.733726D+01 -0.691475D+01  0.805191D+01  0.703266D+01  0.113943D+02
                21            22            23            24            25 
      1   0.562990D+01 -0.923211D+01  0.141715D+02  0.944507D+01  0.630857D+01
      2   0.910474D+01  0.525417D+01 -0.142065D+02 -0.113732D+02  0.803641D+01
      3  -0.147346D+02  0.397793D+01  0.349971D-01  0.192808D+01 -0.143450D+02
      4   0.114262D+02  0.307442D+01  0.393890D+01  0.508832D+01  0.122481D+02
      5  -0.590704D+01  0.783453D+01  0.446909D+01  0.851127D+01 -0.718131D+01
      6   0.245761D+00  0.101183D+02 -0.741105D+01 -0.135571D+01  0.181835D+00
                26            27            28            29            30 
      1   0.101125D+02 -0.549172D+01 -0.305737D+01  0.732294D+01  0.112638D+02
      2  -0.112637D+02  0.117305D+02  0.523897D+01 -0.968713D+01 -0.174663D+02
      3   0.115125D+01 -0.623881D+01 -0.218159D+01  0.236419D+01  0.620251D+01
      4   0.524044D+01  0.848984D+00  0.208848D+01 -0.279510D+00 -0.212881D+01
      5   0.701781D+01 -0.934824D+01  0.680141D+01  0.309542D+01 -0.105678D+02
      6  -0.507656D+00  0.120181D+01 -0.537275D+01 -0.139053D+02  0.446211D+01
                31            32            33            34            35 
      1   0.736157D+01  0.516717D+01  0.599794D+01  0.117360D+02  0.489102D+01
      2  -0.912356D+01 -0.143662D+01 -0.174047D+00 -0.171742D+02 -0.120530D+00
      3   0.176199D+01 -0.373056D+01 -0.582389D+01  0.543825D+01 -0.477049D+01
      4   0.255020D+00 -0.113377D+02 -0.118814D+02 -0.130458D+01 -0.128171D+02
      5   0.486345D+01 -0.717060D+01  0.926904D+00 -0.106575D+02  0.217743D+01
      6  -0.127817D+02  0.267953D+01 -0.893978D+01  0.515569D+01 -0.943000D+01
                36            37            38            39            40 
      1  -0.245453D+01  0.322181D+01  0.172355D+01 -0.104081D+02  0.198385D+01
      2  -0.272745D+01  0.393131D+01  0.144740D+02  0.256128D+01  0.140294D+02
      3   0.518198D+01 -0.715312D+01 -0.161975D+02  0.784678D+01 -0.160133D+02
      4   0.809332D+01 -0.160062D+01 -0.769834D+01 -0.182394D+00 -0.823825D+01
      5   0.451855D-02 -0.183019D+01 -0.300164D+01 -0.102002D+02 -0.405482D+01
      6   0.339016D+01  0.151805D+01 -0.372504D+01 -0.140711D+02 -0.413518D+01
                41            42            43            44            45 
      1  -0.354804D+01 -0.215489D+01 -0.112984D+02 -0.159957D+01 -0.395022D+00
      2  -0.730097D+01  0.427710D+01  0.389969D+01  0.350191D+01  0.287604D+01
      3   0.108490D+02 -0.212221D+01  0.739876D+01 -0.190235D+01 -0.248102D+01
      4   0.963291D+01  0.318201D+01 -0.677648D+00  0.505049D+01 -0.847291D+01
      5  -0.594918D+01 -0.129643D+02 -0.872570D+01 -0.120450D+02  0.874967D+01
      6   0.317888D+01  0.156034D+01 -0.130552D+02  0.140603D+01 -0.578918D+01
                46            47            48            49            50 
      1  -0.127137D+01  0.330827D+01 -0.576532D+01  0.299753D+01 -0.587175D+01
      2  -0.539550D+00 -0.106471D+01 -0.167061D+01 -0.912660D+00  0.242222D+01
      3   0.181092D+01 -0.224356D+01  0.743593D+01 -0.208487D+01  0.344953D+01
      4  -0.854186D+00  0.221001D+01 -0.146547D+00  0.379984D+01  0.221937D+01
      5   0.307505D+01 -0.688401D+00  0.285699D+01 -0.170432D+01 -0.266172D+01
      6  -0.178831D+01  0.304343D+01 -0.397593D+01  0.252401D+00 -0.868701D+01
                51            52            53            54            55 
      1   0.969006D+01 -0.443472D+01  0.925468D+01 -0.200461D+02  0.127885D+02
      2   0.336168D+00  0.120408D+01 -0.424072D+00 -0.103019D+02 -0.724377D+01
      3  -0.100262D+02  0.323064D+01 -0.883061D+01  0.303480D+02 -0.554472D+01
      4  -0.276808D+01 -0.737839D+00 -0.352162D+01  0.364810D+01 -0.779637D+01
      5   0.375184D+01  0.565309D+01  0.305999D+01 -0.913934D+01 -0.953478D+01
      6   0.116528D+02 -0.133149D+01  0.117836D+02 -0.154743D+02  0.469781D+01
                56            57            58            59            60 
      1  -0.570021D+01 -0.287165D+01 -0.915722D+01  0.295106D+01  0.135204D+01
      2   0.454826D+01  0.393787D+01  0.609017D+01  0.880266D+00 -0.402622D+01
      3   0.115195D+01 -0.106622D+01  0.306705D+01 -0.383132D+01  0.267418D+01
      4   0.107165D+02  0.407624D+01  0.121516D+02 -0.154890D+02 -0.501804D+01
      5   0.671857D+01  0.716461D+01  0.101921D+02 -0.761533D+01 -0.887568D+01
      6  -0.543618D+01 -0.352690D+01 -0.635550D+01  0.119284D+02  0.752723D+01
                61            62            63            64            65 
      1  -0.208407D+01  0.185554D+01 -0.131036D+01  0.221129D+02  0.896670D+01
      2   0.358894D+01 -0.281065D+01 -0.361954D+01 -0.612680D+01  0.117105D+01
      3  -0.150487D+01  0.955109D+00  0.492990D+01 -0.159861D+02 -0.101378D+02
      4   0.362638D+01 -0.357430D+01 -0.336742D+01  0.148781D+02  0.137140D+02
      5   0.671041D+01 -0.534172D+01 -0.649387D+01 -0.192019D+01 -0.537938D-01
      6  -0.369747D+01  0.650398D+01  0.289819D+01 -0.162021D+01 -0.295452D+01
                66            67            68            69            70 
      1   0.401759D+01  0.109843D+02  0.492965D+01  0.317205D+01  0.811123D+01
      2  -0.432879D-01  0.427868D+00  0.579188D+01  0.178088D+01 -0.205722D+01
      3  -0.397430D+01 -0.114122D+02 -0.107215D+02 -0.495293D+01 -0.605401D+01
      4   0.338896D+01  0.147963D+02  0.137547D+02  0.218457D+01  0.628909D+01
      5   0.483889D+01 -0.891867D+00 -0.106620D+01  0.372934D+01  0.337777D+01
      6   0.470485D+00 -0.259306D+01 -0.182926D+01  0.352345D+01  0.479019D+00
                71            72            73            74            75 
      1   0.323509D+01  0.115566D+01  0.719646D+01 -0.539481D+00  0.308978D+01
      2   0.224830D+01 -0.256735D+00 -0.787157D+01  0.167390D+01 -0.872123D+01
      3  -0.548339D+01 -0.898921D+00  0.675113D+00 -0.113442D+01  0.563145D+01
      4   0.549419D+01  0.347645D+01  0.144754D+01  0.303092D+01 -0.584350D+00
      5   0.249122D+01  0.447640D+01  0.954214D+01 -0.276013D+01  0.126690D+02
      6   0.220703D+01  0.121741D+01  0.289807D+00  0.306243D+00  0.221177D+01
                76            77            78            79            80 
      1  -0.260074D+01 -0.159886D+01 -0.336843D+00  0.408301D+01 -0.177467D+01
      2   0.349687D+01 -0.599144D+00  0.715911D+01 -0.101366D+02  0.589130D+01
      3  -0.896126D+00  0.219801D+01 -0.682227D+01  0.605363D+01 -0.411663D+01
      4   0.203084D+01 -0.362084D+01  0.259918D+01  0.381305D+00  0.384436D+01
      5  -0.581541D+01  0.298943D+01 -0.693736D+01  0.146008D+02 -0.320937D+01
      6   0.441444D+00 -0.256408D+01  0.324412D+01  0.224230D+01  0.504113D+01
                81            82            83            84            85 
      1  -0.318706D+01  0.256734D+02  0.561224D+01 -0.788859D+01  0.444780D+01
      2  -0.188809D+02 -0.792846D+01  0.153417D+01  0.583195D+00  0.143407D+01
      3   0.220680D+02 -0.177450D+02 -0.714641D+01  0.730540D+01 -0.588187D+01
      4   0.930422D-02  0.170728D+02  0.107629D+02 -0.587139D+01  0.908040D+01
      5   0.208719D+02 -0.399490D+01 -0.143224D+01  0.769619D+01 -0.115013D+01
      6   0.433536D+01 -0.387285D+01 -0.200965D+01  0.466141D+01 -0.240824D+01
                86            87            88            89            90 
      1   0.633557D+00 -0.195529D+01 -0.117908D+02 -0.200492D+01  0.471771D+01
      2   0.435309D+01 -0.966096D-01  0.265294D+01 -0.174813D+01 -0.318779D+01
      3  -0.498665D+01  0.205190D+01  0.913790D+01  0.375305D+01 -0.152991D+01
      4   0.625619D+01 -0.386920D+01 -0.926424D+01 -0.704475D+01  0.443826D+01
      5  -0.173018D+01  0.566482D+00  0.715143D+01  0.144979D+01 -0.670490D+01
      6  -0.222317D+00  0.324552D+01  0.425717D+01  0.310668D+01 -0.566047D+01
                91            92            93            94            95 
      1  -0.154613D+01  0.829347D+01  0.253689D+01  0.653232D+01 -0.219386D+02
      2   0.340079D+01 -0.104989D+02 -0.202613D+01 -0.599168D+01  0.321001D+02
      3  -0.185466D+01  0.220540D+01 -0.510763D+00 -0.540643D+00 -0.101615D+02
      4  -0.398169D+01  0.378945D+01  0.142946D+00  0.581197D+01  0.422307D+01
      5  -0.306777D+01  0.162322D+01  0.203561D+01  0.243645D+01 -0.314339D+00
      6   0.204821D+01 -0.634094D+01 -0.469619D+01 -0.313324D+01  0.174771D+02
                96            97            98            99           100 
      1  -0.801308D+01  0.117736D+01 -0.709401D+01 -0.464125D+01  0.449150D+01
      2   0.685893D+01 -0.172001D+01  0.615649D+01  0.176555D+01  0.204587D+00
      3   0.115415D+01  0.542650D+00  0.937525D+00  0.287570D+01 -0.469608D+01
      4   0.112210D+01  0.784411D-01  0.108343D+01  0.269409D+00 -0.848247D+01
      5   0.555531D+00  0.306141D+01 -0.250093D+00  0.147935D+01  0.329732D+01
      6   0.112086D+02 -0.179675D+01  0.989264D+01  0.647868D+01 -0.339901D+01
               101           102           103           104           105 
      1  -0.146351D+01  0.953316D+00 -0.124605D+01 -0.542591D+01  0.143558D+01
      2  -0.338371D+01  0.266131D+01 -0.332001D+01  0.132797D+02 -0.627031D+01
      3   0.484722D+01 -0.361463D+01  0.456607D+01 -0.785382D+01  0.483472D+01
      4   0.853017D+01 -0.522087D+01  0.795799D+01 -0.879699D+01  0.680417D+01
      5  -0.300807D+01  0.679227D+01 -0.260293D+01  0.406989D+01 -0.371633D+01
      6   0.458564D+01 -0.534616D+01  0.466944D+01 -0.754193D+01  0.992522D+01
               106           107           108           109           110 
      1   0.228955D+01  0.370025D+01 -0.260637D+01 -0.221351D+01 -0.884615D+01
      2   0.239735D+01 -0.103503D+02  0.275085D+01  0.388087D+01  0.132604D+02
      3  -0.468690D+01  0.665004D+01 -0.144480D+00 -0.166735D+01 -0.441427D+01
      4  -0.869605D+01  0.101006D+02 -0.766816D+01  0.893337D+01  0.719318D+01
      5   0.725069D+01 -0.481367D+01  0.923861D+01  0.298928D+01  0.171870D+01
      6  -0.605688D+01  0.114201D+02 -0.154813D+02  0.509116D+01  0.850020D+01
               111           112           113           114           115 
      1  -0.554117D+01 -0.632437D+01 -0.155687D+02 -0.782595D+01 -0.468944D+01
      2   0.410908D+01  0.800869D+01  0.234937D+02  0.736103D+01  0.383260D+01
      3   0.143208D+01 -0.168433D+01 -0.792500D+01  0.464911D+00  0.856843D+00
      4   0.376253D+01  0.732849D+01  0.486923D+01  0.297420D+01  0.416002D+01
      5   0.361312D+01  0.127390D+01  0.150505D+01  0.281862D-01  0.423084D+01
      6   0.684189D+01  0.557652D+01  0.125951D+02  0.109648D+02  0.355202D+01
               116           117           118           119           120 
      1  -0.862255D+01 -0.681647D+01  0.184141D+02  0.562904D+00 -0.715489D+01
      2   0.867724D+01  0.375159D+01 -0.133601D+02 -0.267929D+01  0.981737D+01
      3  -0.546941D-01  0.306488D+01 -0.505407D+01  0.211639D+01 -0.266248D+01
      4   0.276061D+01  0.140468D+01 -0.116603D+02  0.640272D+01  0.621644D+01
      5   0.459587D+00  0.119567D+01 -0.156232D+02  0.898252D+00  0.135053D+02
      6   0.116793D+02  0.956196D+01  0.661296D+01 -0.177473D+01 -0.694488D+01
               121           122           123           124           125 
      1   0.279350D+01  0.524878D+00 -0.120978D+01 -0.825265D+01 -0.170531D+01
      2  -0.301597D+01 -0.399423D+00  0.296393D+01  0.100434D+02  0.303792D+01
      3   0.222463D+00 -0.125455D+00 -0.175416D+01 -0.179075D+01 -0.133261D+01
      4   0.330725D+01  0.113101D+01 -0.108269D+01  0.725998D+01 -0.267389D+01
      5  -0.194975D+01 -0.172289D+01  0.165332D+01  0.135140D+02 -0.128464D+01
      6  -0.665000D+00 -0.240595D+00  0.280663D+01 -0.606645D+01  0.512861D+01
               126           127           128           129           130 
      1   0.184171D+01  0.489890D+01 -0.178728D+01 -0.362470D+00 -0.259234D+01
      2  -0.854580D+01  0.151656D+01 -0.750820D+01 -0.117652D+01 -0.700071D+01
      3   0.670409D+01 -0.641546D+01  0.929549D+01  0.153899D+01  0.959305D+01
      4  -0.586148D+01 -0.101108D+02  0.125132D+02 -0.377840D+00  0.132416D+02
      5  -0.127365D+02  0.458989D+01 -0.358730D+01  0.446130D+01 -0.480735D+01
      6   0.678248D+01 -0.391497D+01  0.634103D+01 -0.135147D+01  0.598631D+01
               131           132           133           134           135 
      1  -0.610686D+01  0.260770D+01 -0.110555D+01  0.368128D+00 -0.630614D+00
      2   0.230026D+02  0.139849D+01 -0.950835D+00  0.400097D+01  0.130666D+01
      3  -0.168957D+02 -0.400620D+01  0.205638D+01 -0.436910D+01 -0.676045D+00
      4  -0.177099D+02  0.553503D+00  0.230755D+01 -0.253596D+01 -0.152433D+01
      5   0.564366D+01 -0.224103D+01  0.248497D+01 -0.878047D+00 -0.127234D+01
      6  -0.130434D+02  0.631788D+01 -0.436463D+00  0.315624D+01  0.110847D+01
               136           137           138           139           140 
      1  -0.201374D+01 -0.369573D+01  0.933329D+01 -0.252059D+01 -0.341513D+01
      2  -0.419565D+01  0.541128D+00  0.555171D+01 -0.417421D+00  0.242440D+01
      3   0.620939D+01  0.315460D+01 -0.148850D+02  0.293801D+01  0.990734D+00
      4   0.632214D+01  0.444144D+01 -0.391633D+01  0.444008D+01  0.693099D+00
      5  -0.125316D+02 -0.280264D+01  0.110085D+02 -0.201564D+01 -0.183876D+01
      6  -0.500624D+01 -0.684682D+01  0.911895D+01 -0.354295D+01 -0.578480D+01
               141           142           143           144           145 
      1   0.470888D+01  0.698780D+01  0.502348D+01 -0.137102D+02  0.977153D+01
      2  -0.929475D+00  0.262520D+01 -0.686962D+00 -0.933168D+01 -0.119713D+02
      3  -0.377940D+01 -0.961300D+01 -0.433651D+01  0.230419D+02  0.219982D+01
      4  -0.220342D+01 -0.351292D+01 -0.188915D+01  0.382277D+01  0.204256D+01
      5   0.290504D+01  0.101974D+02  0.314029D+01 -0.845765D+01  0.159069D+02
      6   0.768608D+01  0.596877D+01  0.801964D+01 -0.109050D+02  0.305585D+01
               146           147           148           149           150 
      1   0.305638D+01  0.255751D+01  0.447034D+01  0.667141D+00 -0.139455D+01
      2  -0.600920D+01 -0.961937D+01 -0.713200D+01 -0.125469D+01 -0.669829D+01
      3   0.295281D+01  0.706185D+01  0.266166D+01  0.587547D+00  0.809285D+01
      4   0.530670D+01  0.711232D+00  0.467628D+01  0.411192D+01  0.206190D+01
      5   0.557287D+01  0.141992D+02  0.916307D+01  0.606725D+01  0.912275D+01
      6   0.582143D+01  0.321275D+01  0.513970D+01  0.763225D+01  0.548710D+01
               151           152           153 
      1   0.262253D+01  0.131227D-01 -0.272406D+01
      2  -0.812234D+01 -0.433100D+01 -0.106078D+02
      3   0.549981D+01  0.431788D+01  0.133318D+02
      4   0.288071D+00  0.131443D+01  0.191906D+01
      5   0.122939D+02  0.573564D+01  0.113071D+02
      6   0.345549D+01  0.538883D+01  0.319334D+01
 Leave Link  716 at Thu Jan 27 11:59:22 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.666948D+02  0.236819D-02  0.459123D-02
      2   0.236819D-02  0.666918D+02  0.457507D-02
      3   0.459123D-02  0.457507D-02  0.667046D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.498498D-03 -0.775470D-02 -0.588021D-02
      2   0.512963D-02  0.127804D-02  0.984258D-02
      3  -0.337770D-02 -0.257091D-02 -0.770889D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.376819D+00  0.176266D-01  0.135261D+01
      2   0.172847D+01 -0.106387D+01 -0.491460D+00
      3  -0.135165D+01  0.104625D+01 -0.861151D+00
      4   0.206161D-01  0.174710D+01  0.183600D+01
      5   0.136367D+01  0.183857D+01 -0.132212D+01
      6   0.184533D+01 -0.487273D+00  0.104681D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106575D+01  0.637128D-01  0.404394D+01  0.869195D-01  0.510857D+01
      2   0.637128D-01  0.509317D+01  0.540504D+01  0.510857D+01 -0.311879D+01
      3   0.404394D+01  0.540504D+01 -0.392927D+01  0.542048D+01 -0.149001D+01
                 6             7             8             9            10 
      1   0.542048D+01  0.399393D+01  0.544267D+01 -0.401466D+01 -0.651143D+00
      2  -0.149001D+01  0.544267D+01 -0.152802D+01  0.306682D+01 -0.565017D-01
      3   0.311678D+01 -0.401466D+01  0.306682D+01 -0.259667D+01 -0.275675D+01
                11            12            13            14            15 
      1  -0.565017D-01 -0.275675D+01  0.199276D+00 -0.466817D+01 -0.404731D+01
      2  -0.365309D+01 -0.406102D+01 -0.466817D+01  0.149283D+01  0.194386D+01
      3  -0.406102D+01  0.339008D+01 -0.404731D+01  0.194386D+01 -0.201539D+01
                16            17            18            19            20 
      1  -0.362993D+01 -0.403695D+01  0.239392D+01  0.222706D+01  0.257465D+00
      2  -0.403695D+01  0.107816D+01 -0.226205D+01  0.257465D+00 -0.410905D+01
      3   0.239392D+01 -0.226205D+01  0.322028D+01 -0.262104D+01 -0.428543D+01
                21            22            23            24            25 
      1  -0.262104D+01 -0.589610D+00 -0.320330D+01 -0.428654D+01 -0.318454D+01
      2  -0.428543D+01 -0.320330D+01  0.363907D+01  0.129852D+01 -0.423739D+01
      3   0.258211D+01 -0.428654D+01  0.129852D+01 -0.238165D+01  0.346544D+01
                26            27            28            29            30 
      1  -0.423739D+01  0.346544D+01  0.208130D+01 -0.880994D+00 -0.307209D+01
      2   0.669492D+00 -0.150352D+01 -0.880994D+00 -0.433158D+01 -0.406206D+01
      3  -0.150352D+01  0.307093D+01 -0.307209D+01 -0.406206D+01  0.282328D+01
                31            32            33            34            35 
      1   0.254201D+00 -0.370245D+01 -0.406800D+01 -0.267407D+01 -0.407090D+01
      2  -0.370245D+01  0.928855D+00  0.112364D+01 -0.407090D+01  0.150339D+01
      3  -0.406800D+01  0.112364D+01 -0.220783D+01  0.344354D+01 -0.331095D+01
                36            37            38            39            40 
      1   0.344354D+01 -0.344495D+00  0.495081D+00 -0.384654D+01 -0.118179D+00
      2  -0.331095D+01  0.495081D+00 -0.348815D+01 -0.413914D+01 -0.396253D+01
      3   0.101180D+01 -0.384654D+01 -0.413914D+01  0.332255D+01 -0.416337D+01
                41            42            43            44            45 
      1  -0.396253D+01 -0.416337D+01 -0.266693D+01 -0.412972D+01  0.288226D+01
      2   0.343218D+01  0.181807D+00 -0.412972D+01  0.129476D+01 -0.224874D+01
      3   0.181807D+00 -0.288495D+01  0.288226D+01 -0.224874D+01  0.551984D+00
                46            47            48            49            50 
      1  -0.694570D+00  0.434123D+00 -0.618879D+00  0.722998D+00  0.271220D+00
      2   0.434123D+00 -0.546543D+00  0.103917D+01  0.271220D+00  0.183587D+01
      3  -0.618879D+00  0.103917D+01 -0.226861D+01  0.372219D+00 -0.207368D+01
                51            52            53            54            55 
      1   0.372219D+00 -0.106165D+01  0.411297D+00 -0.363651D+00  0.319858D+01
      2  -0.207368D+01  0.411297D+00 -0.207359D+01  0.252493D+01 -0.178324D+01
      3   0.282621D+01 -0.363651D+00  0.252493D+01 -0.705317D+01 -0.102862D+01
                56            57            58            59            60 
      1  -0.178324D+01 -0.102862D+01 -0.328453D+01  0.282607D+01  0.176352D+01
      2   0.214833D+01  0.104011D+01  0.282607D+01 -0.446971D+01 -0.172754D+01
      3   0.104011D+01  0.880003D+00  0.176352D+01 -0.172754D+01 -0.193105D+01
                61            62            63            64            65 
      1  -0.689295D+00  0.955903D+00  0.897702D+00  0.494515D+01  0.239194D+01
      2   0.955903D+00 -0.110833D+01 -0.876253D+00  0.239194D+01  0.245363D+01
      3   0.897702D+00 -0.876253D+00 -0.169668D+01  0.817986D+00  0.722884D+00
                66            67            68            69            70 
      1   0.817986D+00  0.309804D+01  0.281994D+01  0.669452D+00  0.248303D+01
      2   0.722884D+00  0.281994D+01  0.309163D+01  0.365589D+00  0.142639D+01
      3   0.846139D+00  0.669452D+00  0.365589D+00  0.122839D+01  0.779757D+00
                71            72            73            74            75 
      1   0.142639D+01  0.779757D+00 -0.228753D+01  0.290429D+00 -0.160424D+01
      2   0.132031D+01  0.963656D+00  0.290429D+00 -0.283955D+00  0.650619D+00
      3   0.963656D+00  0.883943D+00 -0.160424D+01  0.650619D+00 -0.223844D+01
                76            77            78            79            80 
      1   0.137012D+01 -0.327473D+00  0.140607D+01 -0.219333D+01  0.583664D+00
      2  -0.327473D+00  0.813189D+00 -0.116551D+01  0.583664D+00 -0.145300D+01
      3   0.140607D+01 -0.116551D+01  0.242820D+01 -0.290965D+01  0.876793D+00
                81            82            83            84            85 
      1  -0.290965D+01 -0.609844D+01 -0.191713D+01  0.190606D+01 -0.120222D+01
      2   0.876793D+00 -0.191713D+01 -0.139600D+01  0.853715D+00 -0.104331D+01
      3  -0.639555D+01  0.190606D+01  0.853715D+00 -0.195077D+01  0.778420D+00
                86            87            88            89            90 
      1  -0.104331D+01  0.778420D+00  0.355472D+01  0.152659D+01 -0.205317D+01
      2  -0.153188D+01  0.445568D+00  0.152659D+01  0.138267D+01 -0.622483D+00
      3   0.445568D+00 -0.324958D+00 -0.205317D+01 -0.622483D+00  0.188148D+01
                91            92            93            94            95 
      1   0.103990D+01 -0.119812D+01 -0.216209D+00 -0.144532D+01  0.115519D+01
      2  -0.119812D+01  0.309517D+01  0.122996D+01  0.115519D+01 -0.740970D+01
      3  -0.216209D+00  0.122996D+01  0.816477D+00  0.550480D+00 -0.215081D+01
                96            97            98            99           100 
      1   0.550480D+00 -0.180416D+00  0.582386D+00 -0.481090D-02 -0.201773D+01
      2  -0.215081D+01  0.582386D+00 -0.165654D+01 -0.132249D+01  0.139821D+01
      3  -0.160719D+01 -0.481090D-02 -0.132249D+01 -0.149361D+01 -0.948672D+00
               101           102           103           104           105 
      1   0.139821D+01 -0.948672D+00  0.112894D+01 -0.101039D+01  0.106620D+01
      2  -0.109239D+01  0.112081D+01 -0.101039D+01  0.299919D+01 -0.172492D+01
      3   0.112081D+01 -0.153863D+01  0.106620D+01 -0.172492D+01  0.183796D+01
               106           107           108           109           110 
      1  -0.189305D+01  0.181009D+01 -0.192044D+01  0.207486D+01  0.176076D+01
      2   0.181009D+01 -0.336898D+01  0.255380D+01  0.176076D+01  0.365130D+01
      3  -0.192044D+01  0.255380D+01 -0.409985D+01  0.127052D+01  0.166288D+01
               111           112           113           114           115 
      1   0.127052D+01  0.146375D+01  0.173458D+01  0.984962D+00  0.126293D+01
      2   0.166288D+01  0.173458D+01  0.478377D+01  0.177125D+01  0.102741D+01
      3   0.138971D+01  0.984962D+00  0.177125D+01  0.176688D+01  0.566041D+00
               116           117           118           119           120 
      1   0.102741D+01  0.566041D+00 -0.548586D+01  0.604697D+00  0.296312D+01
      2   0.221925D+01  0.205068D+01  0.604697D+00 -0.965228D+00  0.289303D-01
      3   0.205068D+01  0.200579D+01  0.296312D+01  0.289303D-01 -0.282503D+01
               121           122           123           124           125 
      1  -0.920143D+00 -0.317228D+00  0.768913D+00  0.324994D+01 -0.472019D-01
      2  -0.317228D+00 -0.309657D+00  0.400345D+00 -0.472019D-01  0.968251D+00
      3   0.768913D+00  0.400345D+00 -0.459900D+00 -0.277981D+01  0.614430D+00
               126           127           128           129           130 
      1  -0.277981D+01  0.241697D+01 -0.212481D+01  0.479057D+00 -0.240188D+01
      2   0.614430D+00 -0.212481D+01  0.290762D+01  0.154963D+00  0.300060D+01
      3   0.326497D+01  0.479057D+00  0.154963D+00  0.522330D+00  0.886921D-01
               131           132           133           134           135 
      1   0.300060D+01  0.886921D-01 -0.462600D+00  0.851911D+00  0.178205D+00
      2  -0.667938D+01  0.373670D+00  0.851911D+00 -0.130138D+01 -0.526301D+00
      3   0.373670D+00 -0.120442D+01  0.178205D+00 -0.526301D+00 -0.411311D+00
               136           137           138           139           140 
      1  -0.316791D+01 -0.962397D+00  0.262738D+01 -0.662014D+00 -0.409517D+00
      2  -0.962397D+00 -0.122877D+01  0.153025D+01 -0.409517D+00 -0.133409D+01
      3   0.262738D+01  0.153025D+01 -0.413056D+01  0.848298D+00  0.113201D+01
               141           142           143           144           145 
      1   0.848298D+00  0.210760D+01  0.888389D+00 -0.218852D+01  0.382961D+01
      2   0.113201D+01  0.888389D+00  0.110457D+01 -0.114759D+01  0.122677D+01
      3  -0.881809D+00 -0.218852D+01 -0.114759D+01  0.479240D+01  0.260497D+01
               146           147           148           149           150 
      1   0.122677D+01  0.260497D+01  0.229967D+01  0.172820D+01  0.184751D+01
      2   0.174553D+01  0.110833D+01  0.172820D+01  0.183661D+01  0.129620D+01
      3   0.110833D+01  0.230863D+01  0.184751D+01  0.129620D+01  0.269473D+01
               151           152           153 
      1   0.198367D+01  0.101545D+01  0.162785D+01
      2   0.101545D+01  0.948972D+00  0.116927D+01
      3   0.162785D+01  0.116927D+01  0.306326D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107136D-01  0.343633D-02  0.333578D-02  0.128726D-01 -0.853846D-02
      2  -0.800793D-02  0.476242D-02  0.466656D+01 -0.725529D-03 -0.108347D-02
      3  -0.304253D-01 -0.467744D+01 -0.148934D-01  0.466328D+01 -0.202118D-01
                 6             7             8             9            10 
      1  -0.467145D+01  0.180733D-01  0.464416D+01 -0.758298D-02  0.111338D+01
      2   0.352163D-02 -0.464359D+01 -0.797731D-02  0.944426D-02 -0.649911D+01
      3  -0.136610D-01  0.387770D-02 -0.338064D-02 -0.924012D-02 -0.862186D+00
                11            12            13            14            15 
      1   0.643223D+01  0.351227D+01  0.794463D+01 -0.180987D+01 -0.399136D+01
      2  -0.587246D+01  0.315547D+01 -0.548323D+01 -0.256418D+01 -0.749686D+01
      3   0.412099D+01  0.476106D+01  0.942276D+01 -0.309309D+01 -0.538432D+01
                16            17            18            19            20 
      1   0.402316D+01  0.772894D+00  0.707498D+00 -0.308740D+01 -0.191086D+01
      2  -0.328383D+01 -0.795737D+01  0.904668D+01  0.605819D+01  0.584651D+01
      3   0.431501D+01 -0.380244D+01  0.393801D+01 -0.387288D+01 -0.691517D+01
                21            22            23            24            25 
      1   0.700760D+01 -0.288327D+01 -0.270616D+01 -0.517637D+01  0.827603D+01
      2  -0.364746D+01  0.492375D+01 -0.409493D+01 -0.141727D+01 -0.896725D+01
      3  -0.276046D+01 -0.949447D+00  0.945023D+01  0.697661D+01 -0.182827D+01
                26            27            28            29            30 
      1   0.118600D+00  0.579513D+01  0.425481D+01  0.440688D+01 -0.680085D+01
      2  -0.272997D+01 -0.201574D+01  0.113425D+01  0.436592D+01  0.418913D+00
      3   0.595493D+01 -0.553975D+01  0.413166D+01 -0.811997D+01 -0.862120D+01
                31            32            33            34            35 
      1   0.479461D+01 -0.220136D+01  0.329612D+01 -0.806906D+01  0.911177D+01
      2   0.368423D+01  0.726439D+00  0.439547D+01 -0.386047D+01  0.565383D+01
      3  -0.177307D+01 -0.657429D+01 -0.552337D+01 -0.783011D+01 -0.510005D+01
                36            37            38            39            40 
      1  -0.208070D+01 -0.228036D+01 -0.891015D+01 -0.372721D+01 -0.984145D+01
      2  -0.187062D+01 -0.701165D+00 -0.434257D+01  0.109650D+02 -0.316926D+01
      3   0.241794D+01  0.626105D+00 -0.551087D-01  0.662290D+01  0.430716D+01
                41            42            43            44            45 
      1   0.676653D+01 -0.504746D+01 -0.420498D+01  0.114792D+01 -0.446149D+01
      2   0.593067D+01  0.453516D+01  0.494747D+01  0.502932D+01 -0.517922D+01
      3   0.196351D+00  0.391058D+01  0.539529D+01  0.291884D+01 -0.827424D+00
                46            47            48            49            50 
      1  -0.299758D+00  0.920030D+00  0.117457D+00 -0.401560D+00 -0.218979D+01
      2  -0.265797D+01  0.166747D+01 -0.221305D+01  0.278164D+01 -0.232318D+01
      3  -0.136009D+01 -0.780149D-01 -0.137434D+01  0.145950D+01 -0.191788D+01
                51            52            53            54            55 
      1  -0.217927D+00 -0.414148D+00  0.415904D+01  0.747301D+00  0.242050D+01
      2   0.435140D+01 -0.517020D+01  0.412878D+01 -0.957160D+01  0.247852D+01
      3   0.270537D+01 -0.228383D+01  0.282432D+01 -0.372370D+01  0.255075D+01
                56            57            58            59            60 
      1  -0.374998D+01 -0.710655D+00 -0.340458D+01  0.668990D+01 -0.537579D-01
      2  -0.508985D+00  0.170465D+01 -0.203908D+01  0.895781D+00 -0.197379D+01
      3  -0.564774D+01 -0.189620D+01 -0.225448D+01  0.871666D+01  0.251582D+01
                61            62            63            64            65 
      1  -0.152101D+01  0.279545D+01  0.904530D+00 -0.309024D+01 -0.287766D+01
      2  -0.882334D+00  0.109186D+00 -0.158225D+01  0.600095D+01  0.397554D+01
      3  -0.136173D+01  0.264710D+01  0.142464D+01 -0.379076D+00 -0.477889D+01
                66            67            68            69            70 
      1  -0.250403D+01 -0.317738D+01 -0.295998D+01 -0.300119D+01 -0.160563D+01
      2   0.462932D+01  0.407335D+01  0.365244D+01  0.419671D+01  0.211875D+01
      3  -0.896681D+00 -0.694961D+00 -0.415384D+01 -0.455103D+00 -0.157381D+00
                71            72            73            74            75 
      1  -0.766003D+00 -0.220731D+01 -0.195213D+01  0.200608D+01 -0.321762D+01
      2   0.272296D+01  0.310448D+01 -0.838727D+00 -0.633929D+00  0.290443D+01
      3  -0.205247D+01 -0.112648D+01  0.233987D+01 -0.203746D+01  0.257323D+01
                76            77            78            79            80 
      1   0.136615D+01 -0.305225D+01  0.233773D+01 -0.354652D+01  0.543651D+01
      2   0.574406D+00  0.120528D+01 -0.208730D+01 -0.117352D+01 -0.869976D+00
      3  -0.417351D+00  0.195051D+01 -0.256338D+01  0.258371D+01 -0.382576D+01
                81            82            83            84            85 
      1  -0.719105D+01  0.381221D+01  0.115737D+01 -0.399625D+01  0.171879D+01
      2   0.594949D+01 -0.615861D+01 -0.243643D+01  0.693864D+01 -0.200934D+01
      3   0.442485D+01  0.506670D+01 -0.205704D+01 -0.136379D+01  0.150084D+01
                86            87            88            89            90 
      1   0.120259D+01 -0.176353D+01 -0.316862D+01  0.484242D-01  0.323431D+01
      2  -0.122322D+01  0.170364D+01  0.342698D+01  0.146990D+01 -0.535476D+01
      3  -0.110853D+01 -0.512233D+00 -0.261431D+01  0.134969D+01  0.170584D+01
                91            92            93            94            95 
      1   0.828753D+00 -0.143822D+01  0.101135D+01 -0.534261D+00  0.429840D+01
      2   0.161648D+01 -0.206247D+01  0.200484D+00 -0.291862D+01  0.359486D+01
      3  -0.388499D+01  0.330063D+01  0.123690D+01  0.656499D+01 -0.922417D+01
                96            97            98            99           100 
      1  -0.291033D+01 -0.546456D+00  0.119543D+01 -0.118765D+01  0.189541D+01
      2   0.171082D+01 -0.121935D+01  0.182574D+01  0.126647D+01  0.816314D+00
      3  -0.305117D+01  0.167899D+01 -0.277518D+01 -0.129923D+01 -0.225576D+01
               101           102           103           104           105 
      1  -0.173128D+01  0.390118D+01 -0.231214D+01  0.301638D+01 -0.560438D+01
      2  -0.152947D+01  0.312483D+01 -0.743411D+00  0.198051D+01 -0.294070D+01
      3  -0.243789D+00 -0.348771D+00  0.251020D+01  0.140505D+01  0.344221D+00
               106           107           108           109           110 
      1   0.340466D+01 -0.249814D+01  0.895752D+01 -0.123942D+01 -0.594308D-02
      2   0.952981D-01 -0.258077D+01  0.545211D+01 -0.292630D+01 -0.193409D+01
      3  -0.255328D+01 -0.105449D+01 -0.826412D+00  0.616040D+01  0.345994D+01
               111           112           113           114           115 
      1  -0.255849D+01 -0.926073D+00  0.167857D+00 -0.410261D+01 -0.432239D+00
      2  -0.177874D+00 -0.259904D+01 -0.238797D+01 -0.131925D+01 -0.253963D+01
      3   0.316905D+01  0.635328D+01  0.580464D+01  0.330414D+01  0.418486D+01
               116           117           118           119           120 
      1  -0.508220D+00 -0.279059D+01 -0.437185D+01 -0.213177D+01  0.467459D+01
      2  -0.198080D+01 -0.117649D+01  0.116668D+01 -0.376645D+00  0.351788D+01
      3   0.301502D+01  0.242926D+01 -0.763614D+01 -0.287715D+01  0.473548D+01
               121           122           123           124           125 
      1  -0.973024D+00 -0.119051D+01 -0.101619D+00  0.410618D+01  0.178992D+01
      2   0.800382D-01 -0.226472D+00  0.336437D+00 -0.973470D+00 -0.411839D+00
      3  -0.398900D+00 -0.132346D+01  0.119963D+01  0.524445D+01  0.251025D+01
               126           127           128           129           130 
      1  -0.442878D+01 -0.263827D+01  0.481245D+01  0.205711D+01  0.458504D+01
      2  -0.268870D+01 -0.288680D+01  0.313192D+01  0.134201D+01  0.370107D+01
      3  -0.371036D+01 -0.158195D+01 -0.179843D+01 -0.510869D+00  0.268148D+01
               131           132           133           134           135 
      1  -0.943160D+01 -0.390274D+01  0.103932D+01 -0.109541D+01 -0.185405D+01
      2  -0.438416D+01 -0.246015D+01 -0.227945D+00 -0.128232D+01 -0.986997D+00
      3   0.303207D+01 -0.211150D+00  0.315648D+00  0.399705D+00  0.248021D+00
               136           137           138           139           140 
      1   0.709334D+00 -0.205570D+01 -0.149781D+01  0.245730D+00 -0.144152D+01
      2   0.818890D+01  0.200124D+01 -0.397242D+01  0.226172D+01  0.110119D+01
      3   0.384616D+01 -0.561137D+00 -0.270966D+01  0.178137D+01  0.595160D+00
               141           142           143           144           145 
      1  -0.311395D+00 -0.429867D+00  0.283354D+01  0.243327D+01  0.391431D+01
      2  -0.179863D+01 -0.727659D+01 -0.214842D+01  0.529886D+01 -0.478083D+01
      3  -0.132881D+01 -0.311097D+01 -0.481070D+00  0.258359D+01 -0.285954D+01
               146           147           148           149           150 
      1   0.507309D+01  0.272803D+01  0.378314D+01  0.484827D+01  0.186542D+01
      2  -0.129467D+01 -0.200546D+00 -0.311751D+01 -0.188198D+01  0.260787D+00
      3  -0.438498D+01 -0.260359D+01 -0.140408D+01 -0.373381D+01 -0.191019D+01
               151           152           153 
      1   0.307250D+01  0.416489D+01  0.343148D+01
      2  -0.372290D+01 -0.971643D+00  0.295845D+00
      3  -0.198194D+01 -0.252501D+01 -0.210957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.405469D+01 -0.323072D+01  0.293969D+01 -0.326392D+01 -0.151058D+01
      2  -0.159653D+01  0.346984D+01 -0.144497D+01  0.347846D+01  0.962980D+00
      3  -0.245816D+01 -0.239122D+00 -0.149472D+01 -0.214544D+00  0.547603D+00
      4  -0.334474D+01 -0.326154D+01 -0.980789D+00 -0.328799D+01  0.351864D+01
      5   0.302546D+01 -0.942779D+00 -0.415027D+01 -0.937547D+00 -0.142009D+01
      6  -0.973315D+00 -0.137812D+01 -0.327129D+00 -0.142578D+01 -0.415329D+01
                 6             7             8             9            10 
      1  -0.960204D+00  0.304284D+01 -0.920042D+00 -0.244832D+01 -0.513528D+01
      2  -0.414159D+01 -0.138958D+01 -0.418686D+01  0.608117D+00 -0.440840D+01
      3   0.510179D+01 -0.165326D+01  0.510690D+01  0.184020D+01  0.954368D+01
      4  -0.144450D+01 -0.951921D+00 -0.133991D+01 -0.189526D+00 -0.128771D+01
      5  -0.181302D+00 -0.424119D+01 -0.182449D+00 -0.158507D+01 -0.645934D+01
      6  -0.119358D+01 -0.186499D+00 -0.118964D+01  0.509514D+01 -0.439887D+01
                11            12            13            14            15 
      1  -0.434418D+01 -0.232353D+01 -0.463545D+01 -0.852161D+01 -0.145618D+02
      2  -0.650683D+01  0.383882D+01 -0.530256D+01  0.540864D+01  0.158014D+01
      3   0.108510D+02 -0.151529D+01  0.993801D+01  0.311297D+01  0.129817D+02
      4  -0.127643D+02 -0.103107D+02 -0.137310D+02  0.260790D+01  0.170196D+01
      5  -0.895070D+01  0.668898D+01 -0.983374D+01  0.674491D+01  0.316536D+01
      6   0.437899D+01  0.901466D+01  0.486113D+01 -0.400891D+01 -0.695612D+01
                16            17            18            19            20 
      1  -0.270622D+01 -0.147357D+02  0.142773D+02 -0.846007D+01 -0.923603D+01
      2   0.326719D+01  0.240500D+01 -0.179950D+01  0.260586D+01  0.666361D+01
      3  -0.560970D+00  0.123307D+02 -0.124778D+02  0.585422D+01  0.257242D+01
      4  -0.114937D+02  0.508089D+00 -0.846513D+00 -0.366379D+01  0.208425D+01
      5   0.697374D+01  0.247561D+01 -0.158070D+01  0.573909D+01  0.760523D+01
      6   0.733726D+01 -0.691475D+01  0.805191D+01  0.703266D+01  0.113943D+02
                21            22            23            24            25 
      1   0.562990D+01 -0.923211D+01  0.141715D+02  0.944507D+01  0.630857D+01
      2   0.910474D+01  0.525417D+01 -0.142065D+02 -0.113732D+02  0.803641D+01
      3  -0.147346D+02  0.397793D+01  0.349971D-01  0.192808D+01 -0.143450D+02
      4   0.114262D+02  0.307442D+01  0.393890D+01  0.508832D+01  0.122481D+02
      5  -0.590704D+01  0.783453D+01  0.446909D+01  0.851127D+01 -0.718131D+01
      6   0.245761D+00  0.101183D+02 -0.741105D+01 -0.135571D+01  0.181835D+00
                26            27            28            29            30 
      1   0.101125D+02 -0.549172D+01 -0.305737D+01  0.732294D+01  0.112638D+02
      2  -0.112637D+02  0.117305D+02  0.523897D+01 -0.968713D+01 -0.174663D+02
      3   0.115125D+01 -0.623881D+01 -0.218159D+01  0.236419D+01  0.620251D+01
      4   0.524044D+01  0.848984D+00  0.208848D+01 -0.279510D+00 -0.212881D+01
      5   0.701781D+01 -0.934824D+01  0.680141D+01  0.309542D+01 -0.105678D+02
      6  -0.507656D+00  0.120181D+01 -0.537275D+01 -0.139053D+02  0.446211D+01
                31            32            33            34            35 
      1   0.736157D+01  0.516717D+01  0.599794D+01  0.117360D+02  0.489102D+01
      2  -0.912356D+01 -0.143662D+01 -0.174047D+00 -0.171742D+02 -0.120530D+00
      3   0.176199D+01 -0.373056D+01 -0.582389D+01  0.543825D+01 -0.477049D+01
      4   0.255020D+00 -0.113377D+02 -0.118814D+02 -0.130458D+01 -0.128171D+02
      5   0.486345D+01 -0.717060D+01  0.926904D+00 -0.106575D+02  0.217743D+01
      6  -0.127817D+02  0.267953D+01 -0.893978D+01  0.515569D+01 -0.943000D+01
                36            37            38            39            40 
      1  -0.245453D+01  0.322181D+01  0.172355D+01 -0.104081D+02  0.198385D+01
      2  -0.272745D+01  0.393131D+01  0.144740D+02  0.256128D+01  0.140294D+02
      3   0.518198D+01 -0.715312D+01 -0.161975D+02  0.784678D+01 -0.160133D+02
      4   0.809332D+01 -0.160062D+01 -0.769834D+01 -0.182394D+00 -0.823825D+01
      5   0.451855D-02 -0.183019D+01 -0.300164D+01 -0.102002D+02 -0.405482D+01
      6   0.339016D+01  0.151805D+01 -0.372504D+01 -0.140711D+02 -0.413518D+01
                41            42            43            44            45 
      1  -0.354804D+01 -0.215489D+01 -0.112984D+02 -0.159957D+01 -0.395022D+00
      2  -0.730097D+01  0.427710D+01  0.389969D+01  0.350191D+01  0.287604D+01
      3   0.108490D+02 -0.212221D+01  0.739876D+01 -0.190235D+01 -0.248102D+01
      4   0.963291D+01  0.318201D+01 -0.677648D+00  0.505049D+01 -0.847291D+01
      5  -0.594918D+01 -0.129643D+02 -0.872570D+01 -0.120450D+02  0.874967D+01
      6   0.317888D+01  0.156034D+01 -0.130552D+02  0.140603D+01 -0.578918D+01
                46            47            48            49            50 
      1  -0.127137D+01  0.330827D+01 -0.576532D+01  0.299753D+01 -0.587175D+01
      2  -0.539550D+00 -0.106471D+01 -0.167061D+01 -0.912660D+00  0.242222D+01
      3   0.181092D+01 -0.224356D+01  0.743593D+01 -0.208487D+01  0.344953D+01
      4  -0.854186D+00  0.221001D+01 -0.146547D+00  0.379984D+01  0.221937D+01
      5   0.307505D+01 -0.688401D+00  0.285699D+01 -0.170432D+01 -0.266172D+01
      6  -0.178831D+01  0.304343D+01 -0.397593D+01  0.252401D+00 -0.868701D+01
                51            52            53            54            55 
      1   0.969006D+01 -0.443472D+01  0.925468D+01 -0.200461D+02  0.127885D+02
      2   0.336168D+00  0.120408D+01 -0.424072D+00 -0.103019D+02 -0.724377D+01
      3  -0.100262D+02  0.323064D+01 -0.883061D+01  0.303480D+02 -0.554472D+01
      4  -0.276808D+01 -0.737839D+00 -0.352162D+01  0.364810D+01 -0.779637D+01
      5   0.375184D+01  0.565309D+01  0.305999D+01 -0.913934D+01 -0.953478D+01
      6   0.116528D+02 -0.133149D+01  0.117836D+02 -0.154743D+02  0.469781D+01
                56            57            58            59            60 
      1  -0.570021D+01 -0.287165D+01 -0.915722D+01  0.295106D+01  0.135204D+01
      2   0.454826D+01  0.393787D+01  0.609017D+01  0.880266D+00 -0.402622D+01
      3   0.115195D+01 -0.106622D+01  0.306705D+01 -0.383132D+01  0.267418D+01
      4   0.107165D+02  0.407624D+01  0.121516D+02 -0.154890D+02 -0.501804D+01
      5   0.671857D+01  0.716461D+01  0.101921D+02 -0.761533D+01 -0.887568D+01
      6  -0.543618D+01 -0.352690D+01 -0.635550D+01  0.119284D+02  0.752723D+01
                61            62            63            64            65 
      1  -0.208407D+01  0.185554D+01 -0.131036D+01  0.221129D+02  0.896670D+01
      2   0.358894D+01 -0.281065D+01 -0.361954D+01 -0.612680D+01  0.117105D+01
      3  -0.150487D+01  0.955109D+00  0.492990D+01 -0.159861D+02 -0.101378D+02
      4   0.362638D+01 -0.357430D+01 -0.336742D+01  0.148781D+02  0.137140D+02
      5   0.671041D+01 -0.534172D+01 -0.649387D+01 -0.192019D+01 -0.537938D-01
      6  -0.369747D+01  0.650398D+01  0.289819D+01 -0.162021D+01 -0.295452D+01
                66            67            68            69            70 
      1   0.401759D+01  0.109843D+02  0.492965D+01  0.317205D+01  0.811123D+01
      2  -0.432879D-01  0.427868D+00  0.579188D+01  0.178088D+01 -0.205722D+01
      3  -0.397430D+01 -0.114122D+02 -0.107215D+02 -0.495293D+01 -0.605401D+01
      4   0.338896D+01  0.147963D+02  0.137547D+02  0.218457D+01  0.628909D+01
      5   0.483889D+01 -0.891867D+00 -0.106620D+01  0.372934D+01  0.337777D+01
      6   0.470485D+00 -0.259306D+01 -0.182926D+01  0.352345D+01  0.479019D+00
                71            72            73            74            75 
      1   0.323509D+01  0.115566D+01  0.719646D+01 -0.539481D+00  0.308978D+01
      2   0.224830D+01 -0.256735D+00 -0.787157D+01  0.167390D+01 -0.872123D+01
      3  -0.548339D+01 -0.898921D+00  0.675113D+00 -0.113442D+01  0.563145D+01
      4   0.549419D+01  0.347645D+01  0.144754D+01  0.303092D+01 -0.584350D+00
      5   0.249122D+01  0.447640D+01  0.954214D+01 -0.276013D+01  0.126690D+02
      6   0.220703D+01  0.121741D+01  0.289807D+00  0.306243D+00  0.221177D+01
                76            77            78            79            80 
      1  -0.260074D+01 -0.159886D+01 -0.336843D+00  0.408301D+01 -0.177467D+01
      2   0.349687D+01 -0.599144D+00  0.715911D+01 -0.101366D+02  0.589130D+01
      3  -0.896126D+00  0.219801D+01 -0.682227D+01  0.605363D+01 -0.411663D+01
      4   0.203084D+01 -0.362084D+01  0.259918D+01  0.381305D+00  0.384436D+01
      5  -0.581541D+01  0.298943D+01 -0.693736D+01  0.146008D+02 -0.320937D+01
      6   0.441444D+00 -0.256408D+01  0.324412D+01  0.224230D+01  0.504113D+01
                81            82            83            84            85 
      1  -0.318706D+01  0.256734D+02  0.561224D+01 -0.788859D+01  0.444780D+01
      2  -0.188809D+02 -0.792846D+01  0.153417D+01  0.583195D+00  0.143407D+01
      3   0.220680D+02 -0.177450D+02 -0.714641D+01  0.730540D+01 -0.588187D+01
      4   0.930422D-02  0.170728D+02  0.107629D+02 -0.587139D+01  0.908040D+01
      5   0.208719D+02 -0.399490D+01 -0.143224D+01  0.769619D+01 -0.115013D+01
      6   0.433536D+01 -0.387285D+01 -0.200965D+01  0.466141D+01 -0.240824D+01
                86            87            88            89            90 
      1   0.633557D+00 -0.195529D+01 -0.117908D+02 -0.200492D+01  0.471771D+01
      2   0.435309D+01 -0.966096D-01  0.265294D+01 -0.174813D+01 -0.318779D+01
      3  -0.498665D+01  0.205190D+01  0.913790D+01  0.375305D+01 -0.152991D+01
      4   0.625619D+01 -0.386920D+01 -0.926424D+01 -0.704475D+01  0.443826D+01
      5  -0.173018D+01  0.566482D+00  0.715143D+01  0.144979D+01 -0.670490D+01
      6  -0.222317D+00  0.324552D+01  0.425717D+01  0.310668D+01 -0.566047D+01
                91            92            93            94            95 
      1  -0.154613D+01  0.829347D+01  0.253689D+01  0.653232D+01 -0.219386D+02
      2   0.340079D+01 -0.104989D+02 -0.202613D+01 -0.599168D+01  0.321001D+02
      3  -0.185466D+01  0.220540D+01 -0.510763D+00 -0.540643D+00 -0.101615D+02
      4  -0.398169D+01  0.378945D+01  0.142946D+00  0.581197D+01  0.422307D+01
      5  -0.306777D+01  0.162322D+01  0.203561D+01  0.243645D+01 -0.314339D+00
      6   0.204821D+01 -0.634094D+01 -0.469619D+01 -0.313324D+01  0.174771D+02
                96            97            98            99           100 
      1  -0.801308D+01  0.117736D+01 -0.709401D+01 -0.464125D+01  0.449150D+01
      2   0.685893D+01 -0.172001D+01  0.615649D+01  0.176555D+01  0.204587D+00
      3   0.115415D+01  0.542650D+00  0.937525D+00  0.287570D+01 -0.469608D+01
      4   0.112210D+01  0.784411D-01  0.108343D+01  0.269409D+00 -0.848247D+01
      5   0.555531D+00  0.306141D+01 -0.250093D+00  0.147935D+01  0.329732D+01
      6   0.112086D+02 -0.179675D+01  0.989264D+01  0.647868D+01 -0.339901D+01
               101           102           103           104           105 
      1  -0.146351D+01  0.953316D+00 -0.124605D+01 -0.542591D+01  0.143558D+01
      2  -0.338371D+01  0.266131D+01 -0.332001D+01  0.132797D+02 -0.627031D+01
      3   0.484722D+01 -0.361463D+01  0.456607D+01 -0.785382D+01  0.483472D+01
      4   0.853017D+01 -0.522087D+01  0.795799D+01 -0.879699D+01  0.680417D+01
      5  -0.300807D+01  0.679227D+01 -0.260293D+01  0.406989D+01 -0.371633D+01
      6   0.458564D+01 -0.534616D+01  0.466944D+01 -0.754193D+01  0.992522D+01
               106           107           108           109           110 
      1   0.228955D+01  0.370025D+01 -0.260637D+01 -0.221351D+01 -0.884615D+01
      2   0.239735D+01 -0.103503D+02  0.275085D+01  0.388087D+01  0.132604D+02
      3  -0.468690D+01  0.665004D+01 -0.144480D+00 -0.166735D+01 -0.441427D+01
      4  -0.869605D+01  0.101006D+02 -0.766816D+01  0.893337D+01  0.719318D+01
      5   0.725069D+01 -0.481367D+01  0.923861D+01  0.298928D+01  0.171870D+01
      6  -0.605688D+01  0.114201D+02 -0.154813D+02  0.509116D+01  0.850020D+01
               111           112           113           114           115 
      1  -0.554117D+01 -0.632437D+01 -0.155687D+02 -0.782595D+01 -0.468944D+01
      2   0.410908D+01  0.800869D+01  0.234937D+02  0.736103D+01  0.383260D+01
      3   0.143208D+01 -0.168433D+01 -0.792500D+01  0.464911D+00  0.856843D+00
      4   0.376253D+01  0.732849D+01  0.486923D+01  0.297420D+01  0.416002D+01
      5   0.361312D+01  0.127390D+01  0.150505D+01  0.281862D-01  0.423084D+01
      6   0.684189D+01  0.557652D+01  0.125951D+02  0.109648D+02  0.355202D+01
               116           117           118           119           120 
      1  -0.862255D+01 -0.681647D+01  0.184141D+02  0.562904D+00 -0.715489D+01
      2   0.867724D+01  0.375159D+01 -0.133601D+02 -0.267929D+01  0.981737D+01
      3  -0.546941D-01  0.306488D+01 -0.505407D+01  0.211639D+01 -0.266248D+01
      4   0.276061D+01  0.140468D+01 -0.116603D+02  0.640272D+01  0.621644D+01
      5   0.459587D+00  0.119567D+01 -0.156232D+02  0.898252D+00  0.135053D+02
      6   0.116793D+02  0.956196D+01  0.661296D+01 -0.177473D+01 -0.694488D+01
               121           122           123           124           125 
      1   0.279350D+01  0.524878D+00 -0.120978D+01 -0.825265D+01 -0.170531D+01
      2  -0.301597D+01 -0.399423D+00  0.296393D+01  0.100434D+02  0.303792D+01
      3   0.222463D+00 -0.125455D+00 -0.175416D+01 -0.179075D+01 -0.133261D+01
      4   0.330725D+01  0.113101D+01 -0.108269D+01  0.725998D+01 -0.267389D+01
      5  -0.194975D+01 -0.172289D+01  0.165332D+01  0.135140D+02 -0.128464D+01
      6  -0.665000D+00 -0.240595D+00  0.280663D+01 -0.606645D+01  0.512861D+01
               126           127           128           129           130 
      1   0.184171D+01  0.489890D+01 -0.178728D+01 -0.362470D+00 -0.259234D+01
      2  -0.854580D+01  0.151656D+01 -0.750820D+01 -0.117652D+01 -0.700071D+01
      3   0.670409D+01 -0.641546D+01  0.929549D+01  0.153899D+01  0.959305D+01
      4  -0.586148D+01 -0.101108D+02  0.125132D+02 -0.377840D+00  0.132416D+02
      5  -0.127365D+02  0.458989D+01 -0.358730D+01  0.446130D+01 -0.480735D+01
      6   0.678248D+01 -0.391497D+01  0.634103D+01 -0.135147D+01  0.598631D+01
               131           132           133           134           135 
      1  -0.610686D+01  0.260770D+01 -0.110555D+01  0.368128D+00 -0.630614D+00
      2   0.230026D+02  0.139849D+01 -0.950835D+00  0.400097D+01  0.130666D+01
      3  -0.168957D+02 -0.400620D+01  0.205638D+01 -0.436910D+01 -0.676045D+00
      4  -0.177099D+02  0.553503D+00  0.230755D+01 -0.253596D+01 -0.152433D+01
      5   0.564366D+01 -0.224103D+01  0.248497D+01 -0.878047D+00 -0.127234D+01
      6  -0.130434D+02  0.631788D+01 -0.436463D+00  0.315624D+01  0.110847D+01
               136           137           138           139           140 
      1  -0.201374D+01 -0.369573D+01  0.933329D+01 -0.252059D+01 -0.341513D+01
      2  -0.419565D+01  0.541128D+00  0.555171D+01 -0.417421D+00  0.242440D+01
      3   0.620939D+01  0.315460D+01 -0.148850D+02  0.293801D+01  0.990734D+00
      4   0.632214D+01  0.444144D+01 -0.391633D+01  0.444008D+01  0.693099D+00
      5  -0.125316D+02 -0.280264D+01  0.110085D+02 -0.201564D+01 -0.183876D+01
      6  -0.500624D+01 -0.684682D+01  0.911895D+01 -0.354295D+01 -0.578480D+01
               141           142           143           144           145 
      1   0.470888D+01  0.698780D+01  0.502348D+01 -0.137102D+02  0.977153D+01
      2  -0.929475D+00  0.262520D+01 -0.686962D+00 -0.933168D+01 -0.119713D+02
      3  -0.377940D+01 -0.961300D+01 -0.433651D+01  0.230419D+02  0.219982D+01
      4  -0.220342D+01 -0.351292D+01 -0.188915D+01  0.382277D+01  0.204256D+01
      5   0.290504D+01  0.101974D+02  0.314029D+01 -0.845765D+01  0.159069D+02
      6   0.768608D+01  0.596877D+01  0.801964D+01 -0.109050D+02  0.305585D+01
               146           147           148           149           150 
      1   0.305638D+01  0.255751D+01  0.447034D+01  0.667141D+00 -0.139455D+01
      2  -0.600920D+01 -0.961937D+01 -0.713200D+01 -0.125469D+01 -0.669829D+01
      3   0.295281D+01  0.706185D+01  0.266166D+01  0.587547D+00  0.809285D+01
      4   0.530670D+01  0.711232D+00  0.467628D+01  0.411192D+01  0.206190D+01
      5   0.557287D+01  0.141992D+02  0.916307D+01  0.606725D+01  0.912275D+01
      6   0.582143D+01  0.321275D+01  0.513970D+01  0.763225D+01  0.548710D+01
               151           152           153 
      1   0.262253D+01  0.131227D-01 -0.272406D+01
      2  -0.812234D+01 -0.433100D+01 -0.106078D+02
      3   0.549981D+01  0.431788D+01  0.133318D+02
      4   0.288071D+00  0.131443D+01  0.191906D+01
      5   0.122939D+02  0.573564D+01  0.113071D+02
      6   0.345549D+01  0.538883D+01  0.319334D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.666970D+02      0.988348D+01      0.109969D+02
   aniso      0.166461D-01      0.246670D-02      0.274457D-02
   xx         0.666948D+02      0.988315D+01      0.109965D+02
   yx         0.236819D-02      0.350930D-03      0.390462D-03
   yy         0.666918D+02      0.988270D+01      0.109960D+02
   zx         0.459123D-02      0.680350D-03      0.756992D-03
   zy         0.457507D-02      0.677955D-03      0.754327D-03
   zz         0.667046D+02      0.988460D+01      0.109981D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199265         -1.77261299          2.27711133
     6         -2.54545341          1.37771086          0.13617662
     6          0.13192758         -1.54554826         -2.44740813
     6          2.15152905          1.94045127          0.03412943
     1         -1.25041329         -3.17768895          2.29985295
     1          0.17452146         -0.71848890          4.05005430
     1          2.06294517         -2.78069269          2.22733027
     1         -4.11526103          0.03703414          0.11598678
     1         -2.78261760          2.65548456         -1.46793631
     1         -2.69011405          2.49703053          1.86485568
     1         -1.38323263         -2.94587518         -2.52154311
     1          1.93017173         -2.54907315         -2.59353793
     1         -0.04999630         -0.32654111         -4.10361462
     1          2.10266961          3.07012067          1.76144186
     1          2.01060408          3.23088338         -1.57120866
     1          3.99110567          1.00827616         -0.06164630

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.666970D+02      0.988348D+01      0.109969D+02
   aniso      0.166461D-01      0.246670D-02      0.274457D-02
   xx         0.667062D+02      0.988483D+01      0.109984D+02
   yx         0.316408D-03      0.468868D-04      0.521686D-04
   yy         0.666909D+02      0.988257D+01      0.109958D+02
   zx        -0.500885D-02     -0.742235D-03     -0.825848D-03
   zy        -0.150693D-02     -0.223303D-03     -0.248458D-03
   zz         0.666941D+02      0.988305D+01      0.109964D+02

 ----------------------------------------------------------------------
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 CLIMB THE MOUNTAINS AND GET THEIR GOOD TIDINGS.
 NATURE'S PEACE WILL FLOW INTO YOU AS SUNSHINE FLOWS INTO TREES.
 THE WINDS WILL BLOW THEIR OWN FRESHNESS INTO YOU, 
 AND CARES WILL DROP OFF LIKE AUTUMN LEAVES.

                                         -- JOHN MUIR
 Job cpu time:       0 days  1 hours 16 minutes 16.6 seconds.
 Elapsed time:       0 days  0 hours  9 minutes 33.6 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:59:22 2022.
